#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 0.00 -0.31 0.66 4.02 -1.26 -1.89 117.16 118.39 1nkq n TYR 3 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.05 1nkq n TYR 3 Cb 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 39.34 39.67 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 0.58 0.19 -0.87 7.72 2.35 -1.73 0.18 115.58 124.00 1nkq h ASN 4 Ca 0.00 0.19 0.25 0.00 -0.55 0.00 0.00 56.30 56.19 1nkq h ASN 4 Cb 0.16 0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1nkq h ASN 4 CO 0.00 -0.13 0.71 0.10 -1.65 0.00 0.00 177.43 176.46 1nkq h TYR 5 N 0.27 0.00 -0.18 1.19 -0.00 -1.88 0.21 116.97 116.58 1nkq h TYR 5 Ca 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 59.34 1nkq h TYR 5 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.00 1nkq h TYR 5 CO -0.17 0.00 0.09 -0.07 -0.00 0.00 0.00 178.16 178.00 1nkq h LEU 6 N 0.00 0.22 -0.99 0.10 4.07 -0.92 -2.08 115.31 115.70 1nkq h LEU 6 Ca 0.42 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.29 1nkq h LEU 6 Cb 1.84 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 43.52 1nkq h LEU 6 CO -0.00 0.19 -0.35 0.11 -1.08 0.00 0.00 178.44 177.31 1nkq h LYS 7 N 0.25 0.00 -0.06 1.13 1.79 -0.73 -3.14 116.57 115.81 1nkq h LYS 7 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1nkq h LYS 7 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1nkq h LYS 7 CO -0.01 0.35 0.00 0.00 -1.08 0.00 0.00 179.45 178.71 1nkq n ALA 8 N -2.29 2.56 -2.61 3.86 0.00 -0.79 -4.87 120.51 116.37 1nkq n ALA 8 Ca -0.00 -0.47 -0.43 0.00 0.00 0.00 0.00 53.44 52.53 1nkq n ALA 8 Cb 0.49 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.94 3.26 0.04 0.00 0.00 -1.19 -4.49 121.76 117.44 1nkq s ALA 9 Ca 0.36 -0.39 0.09 0.00 0.00 0.00 0.00 51.96 52.03 1nkq s ALA 9 Cb 0.20 -3.81 -0.11 0.00 0.00 0.00 0.00 23.12 19.40 1nkq s ALA 9 CO 0.32 -2.02 1.34 0.00 0.00 0.00 0.00 175.76 175.39 1nkq h ARG 10 N 8.89 0.00 -3.28 0.00 2.47 -1.88 -3.48 114.38 117.11 1nkq h ARG 10 Ca -0.22 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.47 1nkq h ARG 10 Cb 1.06 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.28 1nkq h ARG 10 CO 1.09 0.85 0.04 -1.59 0.56 0.00 0.00 179.97 180.92 1nkq s LYS 11 N -2.80 1.35 -0.14 0.04 -2.85 -1.26 -4.97 119.74 109.11 1nkq s LYS 11 Ca 0.02 -0.81 -0.01 0.00 -1.00 0.00 0.00 55.97 54.17 1nkq s LYS 11 Cb 0.09 0.52 0.03 0.00 -2.06 0.00 0.00 37.83 36.42 1nkq s LYS 11 CO 0.80 -0.57 -0.06 0.42 0.10 0.00 0.00 175.35 176.04 1nkq s ILE 12 N -3.85 0.99 0.01 3.79 1.01 -1.25 -2.08 121.20 119.81 1nkq s ILE 12 Ca 0.08 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1nkq s ILE 12 Cb -0.01 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 1nkq s ILE 12 CO -0.05 0.23 -0.10 -0.63 0.00 0.00 0.00 174.94 174.40 1nkq s ILE 13 N 1.71 3.42 0.03 2.92 1.01 -0.75 -1.93 121.20 127.60 1nkq s ILE 13 Ca 0.03 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.85 1nkq s ILE 13 Cb -0.14 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 1nkq s ILE 13 CO -0.08 0.40 -0.11 0.00 0.00 0.00 0.00 174.94 175.15 1nkq s ILE 15 N -0.83 4.06 0.57 0.00 2.07 -1.06 -1.34 121.20 124.67 1nkq s ILE 15 Ca -0.01 -0.33 0.04 0.00 -1.41 0.00 0.00 60.65 58.94 1nkq s ILE 15 Cb -0.07 -2.72 0.06 0.00 0.13 0.00 0.00 42.46 39.86 1nkq s ILE 15 CO 0.01 0.57 0.80 -0.83 -1.91 0.00 0.00 174.94 173.57 1nkq s GLY 16 N -0.45 1.81 -0.21 1.50 0.00 -0.17 -3.89 107.32 105.91 1nkq s GLY 16 Ca 0.08 -1.68 -0.03 0.00 0.00 0.00 0.00 44.72 43.09 1nkq s GLY 16 CO 0.02 -1.30 0.18 0.54 0.00 0.00 0.00 173.10 172.54 1nkq n ARG 17 N -2.35 -0.48 -0.14 2.90 1.74 -1.26 -4.55 116.66 112.52 1nkq n ARG 17 Ca 0.11 0.27 0.08 0.00 -0.77 0.00 0.00 57.85 57.55 1nkq n ARG 17 Cb 0.60 -0.62 0.12 0.00 -1.02 0.00 0.00 32.46 31.54 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 -0.10 1.98 -3.98 0.55 4.05 -1.26 -4.93 115.26 111.56 1nkq n ASN 18 Ca -0.08 -2.91 -0.20 0.00 0.45 0.00 0.00 54.58 51.85 1nkq n ASN 18 Cb 0.20 -0.39 -0.15 0.00 1.23 0.00 0.00 39.78 40.66 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 -2.42 0.84 0.23 1.20 1.51 -1.26 -0.44 117.35 117.01 1nkq s TYR 19 Ca 0.27 -0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 55.83 1nkq s TYR 19 Cb 0.23 -0.61 -0.09 0.00 -0.11 0.00 0.00 41.96 41.38 1nkq s TYR 19 CO 0.03 -0.10 1.04 0.00 -1.11 0.00 0.00 175.55 175.41 1nkq s ALA 20 N 0.26 3.37 -0.47 3.71 0.00 -0.74 -4.86 121.76 123.02 1nkq s ALA 20 Ca -0.04 0.77 0.20 0.00 0.00 0.00 0.00 51.96 52.89 1nkq s ALA 20 Cb -0.08 -3.29 -0.26 0.00 0.00 0.00 0.00 23.12 19.48 1nkq s ALA 20 CO 0.00 -0.05 0.63 0.00 0.00 0.00 0.00 175.76 176.34 1nkq n ALA 21 N 1.66 3.63 -2.99 0.00 0.00 -1.26 -4.77 120.51 116.78 1nkq n ALA 21 Ca -0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 53.44 52.80 1nkq n ALA 21 Cb 0.46 -0.70 -0.13 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.12 -0.11 0.44 0.00 3.76 -1.26 -5.05 115.29 109.95 1nkq s HIS 22 Ca -0.00 0.27 0.25 0.00 -0.15 0.00 0.00 55.06 55.43 1nkq s HIS 22 Cb 0.14 0.04 1.27 0.00 1.11 0.00 0.00 32.58 35.14 1nkq s HIS 22 CO 0.82 -0.06 1.74 0.97 -0.85 0.00 0.00 174.74 177.35 1nkq h ILE 23 N 4.96 0.40 -0.14 0.60 2.10 -1.98 -1.91 117.51 121.55 1nkq h ILE 23 Ca -0.25 -0.08 0.01 0.00 1.08 0.00 0.00 64.86 65.62 1nkq h ILE 23 Cb 1.20 0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 37.06 1nkq h ILE 23 CO 0.44 0.04 0.06 0.11 -1.08 0.00 0.00 178.15 177.73 1nkq h LYS 24 N 0.24 0.14 0.00 2.19 1.57 -2.02 -2.20 116.57 116.49 1nkq h LYS 24 Ca 0.64 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.42 1nkq h LYS 24 Cb 1.93 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.21 1nkq h LYS 24 CO -0.26 0.09 0.00 -0.85 -0.57 0.00 0.00 179.45 177.86 1nkq n GLU 25 N -5.03 0.13 -1.75 3.15 0.28 -0.72 -5.19 120.64 111.51 1nkq n GLU 25 Ca -0.04 0.46 -0.19 0.00 -0.16 0.00 0.00 57.16 57.23 1nkq n GLU 25 Cb 0.05 -1.81 -0.09 0.00 1.43 0.00 0.00 31.44 31.01 1nkq n GLU 25 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1nkq s LEU 26 N -4.14 2.62 0.00 -1.84 2.96 -0.83 -5.00 118.68 112.44 1nkq s LEU 26 Ca 0.02 -1.08 0.00 0.00 -0.22 0.00 0.00 54.13 52.85 1nkq s LEU 26 Cb 0.08 -2.59 0.00 0.00 0.50 0.00 0.00 46.19 44.18 1nkq s LEU 26 CO 0.29 -4.16 0.00 1.67 -1.32 0.00 0.00 176.35 172.82 1nkq n GLN 33 N 8.28 0.00 -3.17 1.98 0.00 -1.26 -5.07 117.38 118.13 1nkq n GLN 33 Ca 0.43 0.00 -0.28 0.00 -0.00 0.00 0.00 57.00 57.14 1nkq n GLN 33 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.68 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 3.64 0.20 3.69 0.04 -1.26 -5.07 135.00 136.24 1nkq s PRO 34 Ca 0.00 0.09 0.10 0.00 0.04 0.00 0.00 61.00 61.23 1nkq s PRO 34 Cb 0.00 -2.57 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 1nkq s PRO 34 CO 0.00 0.11 -0.20 -0.59 0.04 0.00 0.00 177.00 176.36 1nkq s PHE 35 N -2.24 2.05 0.13 0.56 -0.12 -1.26 -5.00 117.98 112.11 1nkq s PHE 35 Ca 0.45 -0.42 0.07 0.00 -0.05 0.00 0.00 56.93 56.98 1nkq s PHE 35 Cb -0.10 -0.98 -0.04 0.00 -0.63 0.00 0.00 43.02 41.27 1nkq s PHE 35 CO 0.32 0.47 -0.16 -0.06 -0.05 0.00 0.00 175.22 175.74 1nkq s PHE 36 N -2.16 1.57 0.02 3.49 0.40 -1.26 -1.00 117.98 119.05 1nkq s PHE 36 Ca 0.21 -0.51 -0.22 0.00 -0.60 0.00 0.00 56.93 55.81 1nkq s PHE 36 Cb -0.06 -0.81 0.05 0.00 0.51 0.00 0.00 43.02 42.71 1nkq s PHE 36 CO 0.09 0.21 0.49 -0.59 0.70 0.00 0.00 175.22 176.12 1nkq s PHE 37 N -2.01 -0.39 0.32 0.36 -0.12 -0.45 -4.96 117.98 110.73 1nkq s PHE 37 Ca 0.11 0.49 0.01 0.00 -0.05 0.00 0.00 56.93 57.48 1nkq s PHE 37 Cb -0.06 0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.59 1nkq s PHE 37 CO 0.04 -0.58 0.52 -0.51 -0.05 0.00 0.00 175.22 174.63 1nkq s LEU 38 N -1.76 4.07 0.01 -1.99 1.43 -1.26 -0.56 118.68 118.61 1nkq s LEU 38 Ca -0.07 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.48 1nkq s LEU 38 Cb -0.01 -3.26 -0.01 0.00 0.03 0.00 0.00 46.19 42.94 1nkq s LEU 38 CO 0.01 -0.25 -0.12 -0.54 0.23 0.00 0.00 176.35 175.69 1nkq s LYS 39 N -4.18 0.88 0.25 1.70 1.02 -0.81 -4.86 119.74 113.73 1nkq s LYS 39 Ca 0.39 -0.51 -0.21 0.00 0.02 0.00 0.00 55.97 55.66 1nkq s LYS 39 Cb -0.10 -0.85 -0.09 0.00 -0.52 0.00 0.00 37.83 36.28 1nkq s LYS 39 CO 0.34 0.22 0.78 -1.25 -0.92 0.00 0.00 175.35 174.53 1nkq s PRO 40 N -0.56 4.34 0.57 -1.68 0.04 -1.26 -3.90 135.00 132.55 1nkq s PRO 40 Ca 0.03 0.99 0.38 0.00 0.04 0.00 0.00 61.00 62.43 1nkq s PRO 40 Cb -0.05 -2.87 1.88 0.00 0.04 0.00 0.00 34.50 33.50 1nkq s PRO 40 CO 0.00 0.37 2.14 1.79 0.04 0.00 0.00 177.00 181.34 1nkq h THR 41 N 2.72 0.00 0.00 1.26 1.35 -1.93 0.42 112.91 116.73 1nkq h THR 41 Ca -0.48 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1nkq h THR 41 Cb 1.19 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1nkq h THR 41 CO 0.65 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.38 1nkq n SER 42 N -2.94 0.00 -0.92 5.36 3.41 -1.26 -1.53 113.62 115.74 1nkq n SER 42 Ca -0.01 0.14 0.11 0.00 -0.26 0.00 0.00 58.87 58.85 1nkq n SER 42 Cb 0.15 -0.31 0.27 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.31 2.76 -4.78 4.04 3.41 0.14 -4.29 113.62 113.57 1nkq n SER 43 Ca 0.06 -1.89 -0.36 0.00 -0.26 0.00 0.00 58.87 56.42 1nkq n SER 43 Cb 0.12 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.63 3.59 -0.17 -1.33 1.01 -0.58 -1.59 121.20 120.50 1nkq s ILE 44 Ca 0.36 1.18 -0.19 0.00 0.00 0.00 0.00 60.65 62.00 1nkq s ILE 44 Cb 0.21 -3.59 0.05 0.00 0.01 0.00 0.00 42.46 39.14 1nkq s ILE 44 CO 0.29 -0.03 0.53 0.54 0.00 0.00 0.00 174.94 176.27 1nkq s VAL 45 N -1.68 0.00 0.27 2.92 0.11 -1.26 -4.39 120.40 116.38 1nkq s VAL 45 Ca 0.60 -0.04 0.11 0.00 -2.93 0.00 0.00 61.98 59.72 1nkq s VAL 45 Cb -0.23 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 1nkq s VAL 45 CO 0.28 -0.02 -0.17 0.42 -3.33 0.00 0.00 175.10 172.28 1nkq s THR 46 N 0.04 2.25 0.53 5.04 -4.23 0.51 -1.34 115.64 118.44 1nkq s THR 46 Ca -0.02 -2.33 -0.21 0.00 -1.18 0.00 0.00 61.69 57.95 1nkq s THR 46 Cb -0.04 -2.30 -0.07 0.00 1.34 0.00 0.00 72.50 71.44 1nkq s THR 46 CO 0.02 -0.41 1.05 -0.81 -0.54 0.00 0.00 174.62 173.93 1nkq n PRO 47 N -0.59 1.20 0.00 3.99 -0.04 -1.26 -1.58 135.00 136.72 1nkq n PRO 47 Ca -0.06 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1nkq n PRO 47 Cb 0.61 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1nkq n PRO 47 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1nkq n LEU 48 N -0.36 0.00 -0.29 1.53 4.77 -1.26 -0.29 117.00 121.10 1nkq n LEU 48 Ca 0.11 0.10 0.05 0.00 -0.03 0.00 0.00 56.01 56.25 1nkq n LEU 48 Cb 0.44 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1nkq n LEU 48 CO 0.53 -0.10 0.26 -1.54 -1.33 0.00 0.00 177.39 175.21 1nkq n SER 49 N -1.04 1.40 0.28 -1.43 3.41 -1.26 -4.62 113.62 110.37 1nkq n SER 49 Ca 0.00 -1.20 0.14 0.00 -0.26 0.00 0.00 58.87 57.55 1nkq n SER 49 Cb 0.02 0.37 0.84 0.00 -0.26 0.00 0.00 64.21 65.18 1nkq n SER 49 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1nkq h SER 50 N 1.40 0.00 0.00 4.04 4.64 -0.98 -3.53 113.55 119.13 1nkq h SER 50 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nkq h SER 50 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1nkq h SER 50 CO 0.00 0.03 0.00 -0.24 -0.87 0.00 0.00 176.83 175.75 1nkq n SER 51 N -3.88 0.00 -4.55 4.97 2.88 -1.26 -5.01 113.62 106.78 1nkq n SER 51 Ca -0.03 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.26 1nkq n SER 51 Cb 0.12 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.71 1nkq n SER 51 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1nkq s PRO 58 N 1.18 1.43 0.00 -1.46 0.02 -1.26 -5.03 135.00 129.89 1nkq s PRO 58 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 61.00 60.16 1nkq s PRO 58 Cb 0.00 -2.19 0.00 0.00 0.02 0.00 0.00 34.50 32.33 1nkq s PRO 58 CO 0.00 -1.69 0.00 0.00 -0.33 0.00 0.00 177.00 174.98 1nkq n ALA 59 N -3.09 0.00 0.07 -1.55 0.00 -1.26 -3.31 120.51 111.37 1nkq n ALA 59 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.51 1nkq n ALA 59 Cb 0.60 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.15 1nkq n ALA 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nkq n ASN 60 N 0.00 3.27 -4.71 0.00 3.02 -1.26 -4.92 115.26 110.66 1nkq n ASN 60 Ca 0.00 -2.63 -0.40 0.00 -0.03 0.00 0.00 54.58 51.52 1nkq n ASN 60 Cb 0.00 -0.63 -0.05 0.00 -0.61 0.00 0.00 39.78 38.49 1nkq n ASN 60 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1nkq s SER 61 N -0.04 6.92 0.00 6.41 0.15 -1.21 -4.70 113.70 121.24 1nkq s SER 61 Ca 0.24 1.11 0.20 0.00 0.70 0.00 0.00 55.95 58.20 1nkq s SER 61 Cb 0.20 -2.40 0.21 0.00 -1.71 0.00 0.00 66.02 62.32 1nkq s SER 61 CO 0.05 -0.14 1.17 0.35 1.20 0.00 0.00 173.24 175.88 1nkq n THR 62 N 3.92 0.13 -3.36 6.45 -2.24 -1.26 -4.78 114.28 113.14 1nkq n THR 62 Ca -0.01 -0.57 0.02 0.00 -2.27 0.00 0.00 64.05 61.22 1nkq n THR 62 Cb 0.51 1.30 -0.04 0.00 -2.10 0.00 0.00 70.33 70.00 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 -1.57 -0.54 -0.20 4.78 5.36 -1.26 -4.66 117.98 119.89 1nkq s PHE 63 Ca 0.26 0.93 0.14 0.00 -0.96 0.00 0.00 56.93 57.30 1nkq s PHE 63 Cb 0.17 0.32 0.44 0.00 -0.34 0.00 0.00 43.02 43.61 1nkq s PHE 63 CO 0.25 -0.27 1.19 -1.71 -1.46 0.00 0.00 175.22 173.23 1nkq n ASN 64 N 4.85 2.35 0.00 6.13 4.05 -1.26 -5.07 115.26 126.30 1nkq n ASN 64 Ca -0.09 -3.36 0.00 0.00 0.45 0.00 0.00 54.58 51.58 1nkq n ASN 64 Cb 0.53 -0.44 0.00 0.00 1.23 0.00 0.00 39.78 41.10 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 -0.69 -1.73 3.84 8.20 0.00 -1.26 -4.96 105.19 108.61 1nkq n GLY 65 Ca 0.22 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.71 3.37 0.93 0.99 1.43 -1.26 -4.91 118.68 115.51 1nkq s LEU 66 Ca 0.00 1.55 -0.13 0.00 -1.03 0.00 0.00 54.13 54.52 1nkq s LEU 66 Cb 0.00 -4.49 0.15 0.00 0.03 0.00 0.00 46.19 41.87 1nkq s LEU 66 CO 0.00 -0.91 1.14 0.20 0.23 0.00 0.00 176.35 177.01 1nkq s ASN 67 N -3.60 3.35 0.31 2.29 0.01 0.28 -4.87 114.94 112.72 1nkq s ASN 67 Ca 0.58 0.93 0.01 0.00 -0.71 0.00 0.00 52.86 53.67 1nkq s ASN 67 Cb -0.12 -1.48 0.56 0.00 0.41 0.00 0.00 41.25 40.63 1nkq s ASN 67 CO 0.45 -2.65 1.94 -0.08 -1.51 0.00 0.00 177.10 175.25 1nkq h GLU 68 N -1.56 0.96 -0.17 -0.60 4.81 -1.97 0.12 114.58 116.16 1nkq h GLU 68 Ca -0.50 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1nkq h GLU 68 Cb 1.33 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1nkq h GLU 68 CO 0.60 0.63 0.00 -0.40 -0.73 0.00 0.00 179.01 179.11 1nkq n ASP 69 N -4.47 0.20 0.00 1.04 5.75 -1.26 -4.84 116.55 112.98 1nkq n ASP 69 Ca 0.12 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 1nkq n ASP 69 Cb 0.17 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1nkq n ASP 69 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nkq n GLY 70 N 0.43 0.50 3.95 6.12 0.00 0.41 -2.23 105.19 114.38 1nkq n GLY 70 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.10 4.34 -0.48 2.61 -1.32 -1.25 -4.68 115.64 112.76 1nkq s THR 71 Ca 0.00 -0.54 0.06 0.00 -1.21 0.00 0.00 61.69 60.01 1nkq s THR 71 Cb 0.00 -3.59 0.23 0.00 -1.51 0.00 0.00 72.50 67.64 1nkq s THR 71 CO 0.00 -0.38 0.80 -3.20 -2.21 0.00 0.00 174.62 169.62 1nkq n ASN 72 N -1.95 -2.41 -4.72 8.08 5.15 -1.26 1.00 115.26 119.15 1nkq n ASN 72 Ca -0.01 -3.14 -0.42 0.00 -0.60 0.00 0.00 54.58 50.41 1nkq n ASN 72 Cb 0.57 1.37 -0.03 0.00 -0.53 0.00 0.00 39.78 41.16 1nkq n ASN 72 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1nkq s PRO 73 N 0.40 4.14 0.00 1.20 0.02 -1.25 -0.37 135.00 139.14 1nkq s PRO 73 Ca 0.32 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.90 1nkq s PRO 73 Cb 0.19 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.58 1nkq s PRO 73 CO -0.20 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.14 1nkq n GLY 74 N 3.96 0.22 3.95 0.52 0.00 -0.61 -4.87 105.19 108.36 1nkq n GLY 74 Ca 0.16 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 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 0.79 -0.28 1.61 0.04 -1.26 -4.45 135.00 129.45 1nkq s PRO 75 Ca 0.00 -0.63 -0.12 0.00 0.04 0.00 0.00 61.00 60.29 1nkq s PRO 75 Cb 0.00 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 1nkq s PRO 75 CO 0.00 -2.25 0.23 0.42 0.04 0.00 0.00 177.00 175.44 1nkq s ILE 76 N -3.73 5.28 -0.34 0.56 1.01 0.42 -4.93 121.20 119.47 1nkq s ILE 76 Ca 0.73 0.22 -0.21 0.00 0.00 0.00 0.00 60.65 61.39 1nkq s ILE 76 Cb -0.04 -3.57 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1nkq s ILE 76 CO 0.51 0.22 0.65 -0.36 0.00 0.00 0.00 174.94 175.96 1nkq s PHE 77 N 1.82 3.17 -0.29 3.97 2.99 -1.26 -1.05 117.98 127.32 1nkq s PHE 77 Ca 0.08 0.45 -0.20 0.00 0.00 0.00 0.00 56.93 57.26 1nkq s PHE 77 Cb -0.16 -3.11 -0.01 0.00 0.00 0.00 0.00 43.02 39.74 1nkq s PHE 77 CO 0.11 -0.59 0.64 0.42 -0.00 0.00 0.00 175.22 175.80 1nkq s ILE 78 N 2.71 4.94 0.51 0.64 -1.09 0.12 -4.71 121.20 124.33 1nkq s ILE 78 Ca 0.25 0.95 -0.22 0.00 -2.23 0.00 0.00 60.65 59.40 1nkq s ILE 78 Cb -0.14 -3.99 -0.06 0.00 -1.58 0.00 0.00 42.46 36.68 1nkq s ILE 78 CO 0.14 -0.11 1.27 -2.84 -1.23 0.00 0.00 174.94 172.18 1nkq s PRO 79 N 2.61 3.37 0.17 2.79 0.02 -1.26 0.00 135.00 142.70 1nkq s PRO 79 Ca 0.26 2.03 -0.32 0.00 0.02 0.00 0.00 61.00 63.00 1nkq s PRO 79 Cb -0.15 -2.30 -0.11 0.00 0.02 0.00 0.00 34.50 31.96 1nkq s PRO 79 CO 0.11 -0.94 1.79 0.54 -0.33 0.00 0.00 177.00 178.16 1nkq n ARG 80 N -0.85 2.81 -0.99 5.54 5.12 -1.26 -1.71 116.66 125.32 1nkq n ARG 80 Ca 0.09 1.02 0.00 0.00 -1.93 0.00 0.00 57.85 57.03 1nkq n ARG 80 Cb 0.46 -2.89 0.00 0.00 -1.16 0.00 0.00 32.46 28.87 1nkq n ARG 80 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1nkq n GLY 81 N 4.11 0.86 3.84 -0.13 0.00 -1.26 -0.31 105.19 112.30 1nkq n GLY 81 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.46 5.24 -0.36 1.61 1.01 -0.70 -4.71 120.40 119.03 1nkq s VAL 82 Ca 0.00 0.57 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 1nkq s VAL 82 Cb 0.00 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1nkq s VAL 82 CO 0.00 0.57 0.21 -0.54 0.00 0.00 0.00 175.10 175.34 1nkq s LYS 83 N -0.84 3.03 -0.15 2.72 -0.14 -1.26 -4.80 119.74 118.30 1nkq s LYS 83 Ca 0.20 -0.94 -0.14 0.00 -1.36 0.00 0.00 55.97 53.72 1nkq s LYS 83 Cb -0.14 -3.75 -0.05 0.00 -1.68 0.00 0.00 37.83 32.21 1nkq s LYS 83 CO 0.09 -0.62 0.32 0.08 -0.76 0.00 0.00 175.35 174.45 1nkq s VAL 84 N 1.61 5.29 -0.09 3.17 1.01 -1.26 -0.87 120.40 129.25 1nkq s VAL 84 Ca 0.04 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 1nkq s VAL 84 Cb -0.18 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1nkq s VAL 84 CO 0.08 0.38 0.03 -1.00 0.00 0.00 0.00 175.10 174.58 1nkq s HIS 85 N 0.48 3.24 -0.03 5.22 3.76 0.05 -0.26 115.29 127.74 1nkq s HIS 85 Ca 0.18 0.25 -0.03 0.00 -0.15 0.00 0.00 55.06 55.31 1nkq s HIS 85 Cb -0.13 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 1nkq s HIS 85 CO 0.05 0.51 0.16 -3.38 -0.85 0.00 0.00 174.74 171.23 1nkq s HIS 86 N -0.89 3.52 -0.25 1.40 -3.43 -0.85 -1.72 115.29 113.08 1nkq s HIS 86 Ca 0.13 0.37 -0.03 0.00 -0.80 0.00 0.00 55.06 54.73 1nkq s HIS 86 Cb -0.11 -1.84 0.10 0.00 -1.43 0.00 0.00 32.58 29.30 1nkq s HIS 86 CO 0.03 0.65 0.21 -1.21 -2.00 0.00 0.00 174.74 172.41 1nkq s GLU 87 N -1.75 0.22 0.18 -0.38 2.02 -1.23 -3.95 118.70 113.81 1nkq s GLU 87 Ca 0.25 -0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.82 1nkq s GLU 87 Cb -0.12 -1.10 -0.07 0.00 0.10 0.00 0.00 34.13 32.93 1nkq s GLU 87 CO 0.15 -0.86 1.06 -1.50 0.02 0.00 0.00 175.26 174.13 1nkq s ILE 88 N 2.26 3.98 0.05 -1.63 1.10 -1.26 -0.40 121.20 125.30 1nkq s ILE 88 Ca 0.08 1.73 -0.14 0.00 -0.51 0.00 0.00 60.65 61.81 1nkq s ILE 88 Cb -0.15 -4.11 0.02 0.00 0.15 0.00 0.00 42.46 38.37 1nkq s ILE 88 CO -0.24 0.31 0.31 -1.61 -2.11 0.00 0.00 174.94 171.59 1nkq s GLU 89 N -0.43 0.83 -0.06 3.50 2.02 -0.07 -4.22 118.70 120.28 1nkq s GLU 89 Ca 0.48 -0.53 -0.22 0.00 0.02 0.00 0.00 54.97 54.72 1nkq s GLU 89 Cb -0.28 0.36 -0.04 0.00 0.10 0.00 0.00 34.13 34.27 1nkq s GLU 89 CO 0.34 -0.27 0.65 -1.17 0.02 0.00 0.00 175.26 174.82 1nkq s LEU 90 N -2.14 4.34 -0.13 1.80 0.20 -1.26 -1.58 118.68 119.92 1nkq s LEU 90 Ca -0.04 1.14 -0.01 0.00 0.69 0.00 0.00 54.13 55.90 1nkq s LEU 90 Cb -0.00 -2.99 -0.02 0.00 -0.43 0.00 0.00 46.19 42.74 1nkq s LEU 90 CO -0.04 -0.04 -0.09 0.00 -0.29 0.00 0.00 176.35 175.89 1nkq s ALA 91 N 0.52 2.81 -0.04 5.97 0.00 0.33 -1.65 121.76 129.70 1nkq s ALA 91 Ca 0.34 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.35 1nkq s ALA 91 Cb -0.18 -1.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 1nkq s ALA 91 CO 0.17 0.28 0.25 -0.51 0.00 0.00 0.00 175.76 175.95 1nkq s LEU 92 N 0.19 4.40 -0.45 0.00 1.43 -0.10 -0.55 118.68 123.60 1nkq s LEU 92 Ca -0.05 0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 53.63 1nkq s LEU 92 Cb -0.14 -2.43 0.12 0.00 0.03 0.00 0.00 46.19 43.77 1nkq s LEU 92 CO 0.04 0.33 0.27 -0.63 0.23 0.00 0.00 176.35 176.58 1nkq s ILE 93 N -1.15 3.52 0.43 -0.59 1.09 -0.81 -1.38 121.20 122.30 1nkq s ILE 93 Ca 0.22 -2.15 -0.25 0.00 -1.10 0.00 0.00 60.65 57.37 1nkq s ILE 93 Cb -0.14 -3.37 -0.09 0.00 -1.06 0.00 0.00 42.46 37.80 1nkq s ILE 93 CO 0.11 -0.74 1.31 0.52 -0.10 0.00 0.00 174.94 176.05 1nkq n VAL 94 N 4.48 2.62 -0.36 2.92 0.31 -0.46 -0.65 118.33 127.20 1nkq n VAL 94 Ca -0.02 -0.50 0.01 0.00 -0.01 0.00 0.00 64.34 63.82 1nkq n VAL 94 Cb 0.41 -1.64 0.01 0.00 -0.91 0.00 0.00 33.84 31.71 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 0.10 1.57 -3.74 4.52 3.41 0.48 -0.60 113.62 119.36 1nkq n SER 95 Ca 0.06 -1.90 -0.06 0.00 -0.26 0.00 0.00 58.87 56.71 1nkq n SER 95 Cb 0.40 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.94 1.41 0.04 4.33 -2.85 -1.25 -4.66 119.74 115.81 1nkq s LYS 96 Ca 0.03 -0.74 -0.30 0.00 -1.00 0.00 0.00 55.97 53.95 1nkq s LYS 96 Cb 0.03 0.51 -0.06 0.00 -2.06 0.00 0.00 37.83 36.24 1nkq s LYS 96 CO 0.00 -0.64 1.31 -1.01 0.10 0.00 0.00 175.35 175.11 1nkq s HIS 97 N -3.58 3.18 -0.27 1.78 3.76 -1.26 -3.76 115.29 115.14 1nkq s HIS 97 Ca 0.10 1.06 -0.00 0.00 -0.15 0.00 0.00 55.06 56.06 1nkq s HIS 97 Cb -0.03 -3.56 0.08 0.00 1.11 0.00 0.00 32.58 30.18 1nkq s HIS 97 CO 0.01 -1.91 0.04 -0.51 -0.85 0.00 0.00 174.74 171.53 1nkq s LEU 98 N 1.64 2.37 -0.09 0.89 1.43 0.13 -4.98 118.68 120.07 1nkq s LEU 98 Ca 0.61 -1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.29 1nkq s LEU 98 Cb -0.31 -0.97 0.03 0.00 0.03 0.00 0.00 46.19 44.97 1nkq s LEU 98 CO 0.28 -0.34 -0.04 -0.55 0.23 0.00 0.00 176.35 175.92 1nkq s SER 99 N 1.54 1.90 -1.38 2.29 0.15 -1.26 -0.62 113.70 116.31 1nkq s SER 99 Ca 0.04 -0.20 -0.06 0.00 0.70 0.00 0.00 55.95 56.43 1nkq s SER 99 Cb -0.18 -0.65 0.03 0.00 -1.71 0.00 0.00 66.02 63.52 1nkq s SER 99 CO -0.15 -0.16 0.89 0.59 1.20 0.00 0.00 173.24 175.62 1nkq n ASN 100 N 5.04 -3.18 -4.74 5.45 3.02 -0.46 -4.95 115.26 115.44 1nkq n ASN 100 Ca -0.10 -0.75 -0.41 0.00 -0.03 0.00 0.00 54.58 53.29 1nkq n ASN 100 Cb 0.50 -4.24 -0.04 0.00 -0.61 0.00 0.00 39.78 35.39 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 -3.47 3.68 -0.14 2.41 1.01 -1.26 -4.93 120.40 117.71 1nkq s VAL 101 Ca 0.30 1.46 -0.12 0.00 0.00 0.00 0.00 61.98 63.62 1nkq s VAL 101 Cb -0.15 -3.93 -0.24 0.00 0.00 0.00 0.00 36.38 32.06 1nkq s VAL 101 CO 0.80 0.25 0.35 0.71 0.00 0.00 0.00 175.10 177.21 1nkq h THR 102 N 3.68 0.75 -2.72 3.92 1.35 -1.92 -3.43 112.91 114.53 1nkq h THR 102 Ca -0.45 -2.31 -0.11 0.00 -0.55 0.00 0.00 66.41 63.00 1nkq h THR 102 Cb 1.21 2.45 -0.03 0.00 -1.73 0.00 0.00 68.15 70.06 1nkq h THR 102 CO 0.73 0.72 -0.08 2.29 -0.25 0.00 0.00 175.52 178.93 1nkq n LYS 103 N -3.80 0.19 -4.21 4.72 2.85 -1.26 -4.99 118.16 111.67 1nkq n LYS 103 Ca -0.31 -0.94 -0.16 0.00 -1.05 0.00 0.00 58.31 55.85 1nkq n LYS 103 Cb 0.93 0.86 -0.11 0.00 -0.65 0.00 0.00 35.03 36.06 1nkq n LYS 103 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1nkq s LYS 105 N -2.31 0.93 0.52 -1.58 1.02 -1.26 -5.09 119.74 111.96 1nkq s LYS 105 Ca 0.10 -1.19 0.23 0.00 0.02 0.00 0.00 55.97 55.14 1nkq s LYS 105 Cb -0.00 -0.72 1.34 0.00 -0.52 0.00 0.00 37.83 37.93 1nkq s LYS 105 CO 0.07 0.13 2.00 -1.00 -0.92 0.00 0.00 175.35 175.63 1nkq h PRO 106 N 3.57 0.05 0.00 -1.68 0.13 -1.97 -1.26 132.00 130.84 1nkq h PRO 106 Ca -0.39 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.67 1nkq h PRO 106 Cb 1.19 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1nkq h PRO 106 CO 0.51 0.03 -0.36 0.93 -0.23 0.00 0.00 178.00 178.89 1nkq h GLU 107 N 0.05 0.00 0.00 0.86 3.07 -1.94 -2.87 114.58 113.75 1nkq h GLU 107 Ca 0.24 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.08 1nkq h GLU 107 Cb 0.89 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1nkq h GLU 107 CO -0.01 0.36 -0.09 0.93 -1.40 0.00 0.00 179.01 178.80 1nkq h GLU 108 N 0.00 0.00 -0.70 2.33 5.08 -1.58 -2.88 114.58 116.84 1nkq h GLU 108 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1nkq h GLU 108 Cb 0.86 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 1nkq h GLU 108 CO 0.05 0.09 0.45 0.28 -1.00 0.00 0.00 179.01 178.87 1nkq h VAL 109 N 0.00 1.12 -0.60 3.13 2.07 -1.57 0.10 116.25 120.50 1nkq h VAL 109 Ca -0.00 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1nkq h VAL 109 Cb 0.47 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1nkq h VAL 109 CO 0.01 0.16 0.20 0.22 0.02 0.00 0.00 177.57 178.19 1nkq h TYR 110 N 0.88 0.90 0.00 1.57 3.20 -1.69 -1.93 116.97 119.91 1nkq h TYR 110 Ca 0.28 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1nkq h TYR 110 Cb -0.01 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 37.99 1nkq h TYR 110 CO -0.04 0.71 0.00 -0.44 -1.64 0.00 0.00 178.16 176.76 1nkq h ASP 111 N 0.86 0.00 -0.14 -2.11 3.32 -1.18 -3.19 116.42 113.98 1nkq h ASP 111 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1nkq h ASP 111 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1nkq h ASP 111 CO -0.01 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.31 1nkq n SER 112 N -2.93 3.11 -4.48 6.45 7.64 -0.12 -4.91 113.62 118.38 1nkq n SER 112 Ca 0.02 -1.98 -0.23 0.00 1.01 0.00 0.00 58.87 57.69 1nkq n SER 112 Cb 0.33 -0.08 -0.11 0.00 -1.01 0.00 0.00 64.21 63.35 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 -1.81 1.55 -0.35 0.44 -4.36 -1.10 -0.39 121.20 115.19 1nkq s ILE 113 Ca 0.31 -2.05 0.04 0.00 -0.26 0.00 0.00 60.65 58.69 1nkq s ILE 113 Cb 0.20 -2.71 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 1nkq s ILE 113 CO 0.30 -0.11 0.35 -1.54 0.24 0.00 0.00 174.94 174.18 1nkq n SER 114 N -0.71 0.63 0.00 4.36 3.41 0.18 -4.62 113.62 116.87 1nkq n SER 114 Ca -0.04 -0.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1nkq n SER 114 Cb 0.65 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 65.25 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 0.81 -2.02 3.34 5.00 0.00 -1.25 -2.06 105.19 109.01 1nkq n GLY 115 Ca 0.02 -1.18 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 1nkq n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nkq s VAL 116 N -2.32 1.20 0.19 1.61 1.01 -0.28 -1.93 120.40 119.88 1nkq s VAL 116 Ca 0.00 -2.06 -0.11 0.00 0.00 0.00 0.00 61.98 59.81 1nkq s VAL 116 Cb 0.00 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1nkq s VAL 116 CO 0.00 -0.39 0.35 0.00 0.00 0.00 0.00 175.10 175.07 1nkq s ALA 117 N -3.31 -0.13 -0.20 5.51 0.00 0.29 -0.42 121.76 123.50 1nkq s ALA 117 Ca 0.27 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 1nkq s ALA 117 Cb 0.05 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 1nkq s ALA 117 CO 0.08 -0.71 0.00 -1.17 0.00 0.00 0.00 175.76 173.96 1nkq s LEU 118 N -2.98 3.28 0.10 0.00 2.96 -1.26 -0.51 118.68 120.27 1nkq s LEU 118 Ca 0.18 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 1nkq s LEU 118 Cb 0.02 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1nkq s LEU 118 CO 0.02 0.06 -0.10 0.00 -1.32 0.00 0.00 176.35 175.01 1nkq s ALA 119 N 1.01 1.16 -0.26 5.97 0.00 -0.61 -0.75 121.76 128.29 1nkq s ALA 119 Ca 0.02 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.70 1nkq s ALA 119 Cb -0.14 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1nkq s ALA 119 CO 0.02 -0.04 0.02 -0.51 0.00 0.00 0.00 175.76 175.25 1nkq s LEU 120 N -2.52 3.40 -1.01 0.00 1.43 -0.07 -0.89 118.68 119.02 1nkq s LEU 120 Ca 0.07 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.43 1nkq s LEU 120 Cb -0.02 -1.81 0.17 0.00 0.03 0.00 0.00 46.19 44.56 1nkq s LEU 120 CO 0.00 -0.11 1.16 -0.62 0.23 0.00 0.00 176.35 177.01 1nkq s ASP 121 N 1.48 6.83 0.28 2.29 2.15 0.46 -3.42 116.67 126.73 1nkq s ASP 121 Ca 0.04 -2.53 -0.29 0.00 0.43 0.00 0.00 52.55 50.20 1nkq s ASP 121 Cb -0.16 -2.36 -0.09 0.00 -0.30 0.00 0.00 42.92 40.01 1nkq s ASP 121 CO -0.00 -0.84 1.04 -0.76 -0.17 0.00 0.00 175.17 174.44 1nkq s LEU 122 N 1.69 4.53 -0.02 -1.34 1.43 -0.81 -3.46 118.68 120.69 1nkq s LEU 122 Ca 0.33 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.59 1nkq s LEU 122 Cb -0.05 -3.70 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1nkq s LEU 122 CO -0.07 -0.09 -0.07 -0.89 0.23 0.00 0.00 176.35 175.47 1nkq s THR 123 N -1.24 0.57 -1.08 5.49 2.01 -0.70 -4.69 115.64 116.00 1nkq s THR 123 Ca 0.45 -0.26 -0.19 0.00 0.31 0.00 0.00 61.69 62.01 1nkq s THR 123 Cb -0.29 -0.51 0.11 0.00 0.01 0.00 0.00 72.50 71.82 1nkq s THR 123 CO 0.36 0.18 1.39 0.00 -0.69 0.00 0.00 174.62 175.87 1nkq s ALA 124 N 0.15 3.32 0.14 7.40 0.00 0.48 -0.77 121.76 132.48 1nkq s ALA 124 Ca -0.02 -2.79 -0.30 0.00 0.00 0.00 0.00 51.96 48.85 1nkq s ALA 124 Cb -0.06 -4.30 -0.06 0.00 0.00 0.00 0.00 23.12 18.69 1nkq s ALA 124 CO -0.00 -3.16 1.56 0.00 0.00 0.00 0.00 175.76 174.16 1nkq h ARG 125 N 8.49 -0.40 -0.52 0.00 -0.00 -1.31 0.22 114.38 120.86 1nkq h ARG 125 Ca 0.26 0.03 -0.03 0.00 -0.50 0.00 0.00 59.98 59.73 1nkq h ARG 125 Cb 0.96 0.09 -0.03 0.00 0.00 0.00 0.00 29.97 31.00 1nkq h ARG 125 CO 1.29 -0.27 0.20 -2.95 0.00 0.00 0.00 179.97 178.24 1nkq h ASN 126 N -0.42 0.68 0.18 7.04 -1.07 -1.90 0.16 115.58 120.25 1nkq h ASN 126 Ca 0.09 -0.08 -0.09 0.00 0.07 0.00 0.00 56.30 56.29 1nkq h ASN 126 Cb 0.61 -0.17 -0.01 0.00 -2.07 0.00 0.00 38.32 36.68 1nkq h ASN 126 CO -0.54 0.62 -0.32 0.58 0.07 0.00 0.00 177.43 177.84 1nkq h VAL 127 N 0.74 1.27 -0.16 6.14 2.07 -1.68 -2.64 116.25 121.98 1nkq h VAL 127 Ca 0.18 -1.29 -0.13 0.00 0.82 0.00 0.00 66.70 66.28 1nkq h VAL 127 Cb 0.16 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1nkq h VAL 127 CO -0.02 0.39 -0.43 -0.61 0.02 0.00 0.00 177.57 176.92 1nkq h GLN 128 N 0.19 0.57 -0.65 1.57 4.15 0.88 -2.61 115.11 119.21 1nkq h GLN 128 Ca 0.03 -0.40 0.06 0.00 0.77 0.00 0.00 58.65 59.11 1nkq h GLN 128 Cb 0.67 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.39 1nkq h GLN 128 CO 0.05 1.02 0.43 -0.44 -1.93 0.00 0.00 178.83 177.95 1nkq h ASP 129 N 0.21 0.56 -0.29 -0.69 3.32 -0.58 -0.22 116.42 118.73 1nkq h ASP 129 Ca -0.01 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1nkq h ASP 129 Cb 1.04 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1nkq h ASP 129 CO 0.09 0.36 -0.22 -0.08 -1.72 0.00 0.00 179.24 177.67 1nkq h GLU 130 N 0.64 0.66 -0.52 3.56 4.81 -1.42 -2.34 114.58 119.97 1nkq h GLU 130 Ca 0.28 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1nkq h GLU 130 Cb 0.28 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1nkq h GLU 130 CO -0.09 0.93 0.25 0.00 -0.73 0.00 0.00 179.01 179.37 1nkq h ALA 131 N 0.72 0.67 -0.08 2.92 0.00 -0.87 -2.93 119.26 119.68 1nkq h ALA 131 Ca 0.05 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1nkq h ALA 131 Cb 0.77 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1nkq h ALA 131 CO 0.06 0.23 -0.04 0.87 0.00 0.00 0.00 179.25 180.36 1nkq h LYS 132 N 0.69 -0.03 0.00 0.00 1.57 -1.06 0.11 116.57 117.85 1nkq h LYS 132 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1nkq h LYS 132 Cb 0.11 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1nkq h LYS 132 CO -0.02 -0.02 0.00 1.63 -0.57 0.00 0.00 179.45 180.46 1nkq n LYS 133 N -5.16 0.62 0.00 3.15 5.02 -0.89 -1.95 118.16 118.95 1nkq n LYS 133 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1nkq n LYS 133 Cb 0.09 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1nkq n LYS 133 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nkq n LYS 134 N -0.83 0.94 -3.09 1.97 5.02 -0.90 -5.01 118.16 116.26 1nkq n LYS 134 Ca 0.10 -0.80 -0.23 0.00 -2.02 0.00 0.00 58.31 55.36 1nkq n LYS 134 Cb 0.05 -0.78 0.03 0.00 -0.02 0.00 0.00 35.03 34.30 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 -0.19 -0.52 3.85 0.72 0.00 -0.46 -5.00 105.19 103.61 1nkq n GLY 135 Ca 0.00 0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -6.65 3.44 0.60 0.99 1.43 0.25 -5.03 118.68 113.71 1nkq s LEU 136 Ca 0.32 -0.68 -0.19 0.00 -1.03 0.00 0.00 54.13 52.56 1nkq s LEU 136 Cb -0.15 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1nkq s LEU 136 CO 0.40 -0.52 1.21 -2.16 0.23 0.00 0.00 176.35 175.50 1nkq s PRO 137 N -4.05 2.95 0.00 1.29 0.04 -1.26 -4.49 135.00 129.47 1nkq s PRO 137 Ca 0.45 1.81 0.27 0.00 0.04 0.00 0.00 61.00 63.57 1nkq s PRO 137 Cb -0.04 -1.93 0.85 0.00 0.04 0.00 0.00 34.50 33.43 1nkq s PRO 137 CO 0.27 -1.22 1.66 0.91 0.04 0.00 0.00 177.00 178.65 1nkq n TRP 138 N -1.64 0.00 -0.34 0.56 7.02 -1.26 -4.55 117.44 117.23 1nkq n TRP 138 Ca 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 1nkq n TRP 138 Cb 0.50 -0.35 0.07 0.00 -2.42 0.00 0.00 31.31 29.11 1nkq n TRP 138 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 1nkq h THR 139 N 0.05 0.05 -0.10 -0.99 2.02 -1.93 -0.99 112.91 111.01 1nkq h THR 139 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1nkq h THR 139 Cb 0.49 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1nkq h THR 139 CO 0.00 0.00 0.02 0.40 0.37 0.00 0.00 175.52 176.31 1nkq h ILE 140 N -0.02 1.19 0.00 3.11 1.08 -1.95 0.39 117.51 121.31 1nkq h ILE 140 Ca 0.37 -0.60 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 1nkq h ILE 140 Cb 0.62 1.40 -0.00 0.00 -3.07 0.00 0.00 36.82 35.77 1nkq h ILE 140 CO -0.94 0.17 -0.03 0.77 -0.69 0.00 0.00 178.15 177.44 1nkq h SER 141 N -0.04 0.00 0.00 1.72 4.64 -1.65 -2.55 113.55 115.67 1nkq h SER 141 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1nkq h SER 141 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1nkq h SER 141 CO 0.00 0.03 -1.26 0.29 -0.87 0.00 0.00 176.83 175.01 1nkq n LYS 142 N -3.61 0.92 -0.18 4.77 4.76 -0.46 -0.39 118.16 123.98 1nkq n LYS 142 Ca -0.03 -0.07 0.05 0.00 -2.87 0.00 0.00 58.31 55.39 1nkq n LYS 142 Cb 0.12 -1.37 0.14 0.00 -1.84 0.00 0.00 35.03 32.07 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 1.44 3.13 3.55 0.72 0.00 0.13 -4.79 105.19 109.36 1nkq n GLY 143 Ca 0.00 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 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 0.04 0.02 -1.62 1.61 3.01 -1.18 -4.64 117.46 114.70 1nkq n PHE 144 Ca 0.11 0.38 -0.39 0.00 1.01 0.00 0.00 57.45 58.55 1nkq n PHE 144 Cb 0.47 -2.01 0.03 0.00 -0.01 0.00 0.00 39.48 37.97 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 -1.05 1.03 -0.49 4.37 8.00 -1.26 -1.36 116.55 125.78 1nkq n ASP 145 Ca 0.12 0.91 -0.06 0.00 0.71 0.00 0.00 54.79 56.46 1nkq n ASP 145 Cb 0.50 -1.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.19 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 -1.17 0.00 -1.16 -3.53 -2.24 -1.14 -4.59 114.28 100.45 1nkq n THR 146 Ca 0.11 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.68 1nkq n THR 146 Cb 0.44 -1.11 -0.12 0.00 -2.10 0.00 0.00 70.33 67.45 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 -2.36 0.89 -3.63 4.78 3.01 -0.46 -4.75 117.46 114.93 1nkq n PHE 147 Ca -0.06 -2.03 -0.12 0.00 1.01 0.00 0.00 57.45 56.25 1nkq n PHE 147 Cb 0.43 -1.84 -0.07 0.00 -0.01 0.00 0.00 39.48 37.99 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 1.04 0.75 0.03 -1.08 0.02 -1.22 -1.93 135.00 132.61 1nkq s PRO 149 Ca 0.67 0.96 -0.08 0.00 0.02 0.00 0.00 61.00 62.57 1nkq s PRO 149 Cb 0.28 0.32 0.00 0.00 0.02 0.00 0.00 34.50 35.13 1nkq s PRO 149 CO -0.04 -0.10 0.17 -1.50 -0.33 0.00 0.00 177.00 175.20 1nkq s ILE 150 N 0.61 0.11 0.52 2.83 2.07 -0.45 -0.89 121.20 126.00 1nkq s ILE 150 Ca -0.02 -0.87 -0.04 0.00 -1.41 0.00 0.00 60.65 58.32 1nkq s ILE 150 Cb -0.05 -0.79 0.11 0.00 0.13 0.00 0.00 42.46 41.86 1nkq s ILE 150 CO -0.04 -0.48 0.71 -1.54 -1.91 0.00 0.00 174.94 171.68 1nkq n SER 151 N 0.90 0.60 -4.88 4.50 3.41 0.07 -4.55 113.62 113.67 1nkq n SER 151 Ca -0.20 -1.59 -0.30 0.00 -0.26 0.00 0.00 58.87 56.52 1nkq n SER 151 Cb 0.58 -0.49 0.04 0.00 -0.26 0.00 0.00 64.21 64.07 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 -3.35 2.96 0.48 7.33 0.00 -1.26 -4.76 121.76 123.17 1nkq s ALA 152 Ca 0.44 -0.28 -0.19 0.00 0.00 0.00 0.00 51.96 51.93 1nkq s ALA 152 Cb -0.02 -3.03 -0.09 0.00 0.00 0.00 0.00 23.12 19.98 1nkq s ALA 152 CO 0.30 -1.01 0.99 -1.50 0.00 0.00 0.00 175.76 174.55 1nkq s ILE 153 N -3.30 4.19 -0.33 0.00 2.07 -0.79 -4.58 121.20 118.46 1nkq s ILE 153 Ca 0.57 1.27 -0.02 0.00 -1.41 0.00 0.00 60.65 61.06 1nkq s ILE 153 Cb -0.11 -3.56 0.07 0.00 0.13 0.00 0.00 42.46 38.99 1nkq s ILE 153 CO 0.52 -0.39 0.06 -0.69 -1.91 0.00 0.00 174.94 172.53 1nkq s VAL 154 N -2.24 3.07 0.54 4.00 1.01 0.44 -4.75 120.40 122.47 1nkq s VAL 154 Ca 0.63 -1.60 -0.22 0.00 0.00 0.00 0.00 61.98 60.79 1nkq s VAL 154 Cb -0.12 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1nkq s VAL 154 CO 0.21 -0.29 1.36 -0.44 0.00 0.00 0.00 175.10 175.94 1nkq s SER 155 N 1.40 5.32 0.66 3.32 0.01 -1.26 -1.12 113.70 122.02 1nkq s SER 155 Ca -0.01 2.77 0.42 0.00 1.31 0.00 0.00 55.95 60.44 1nkq s SER 155 Cb -0.20 -2.64 2.32 0.00 0.21 0.00 0.00 66.02 65.71 1nkq s SER 155 CO -0.02 -1.54 2.33 0.08 0.41 0.00 0.00 173.24 174.50 1nkq h ARG 156 N 1.52 0.00 -0.99 12.44 0.11 -1.76 -1.78 114.38 123.93 1nkq h ARG 156 Ca -0.51 0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.59 1nkq h ARG 156 Cb 1.30 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.33 1nkq h ARG 156 CO 0.57 0.00 0.65 0.93 0.10 0.00 0.00 179.97 182.23 1nkq h GLU 157 N 0.00 1.28 0.00 0.08 3.07 -1.89 0.21 114.58 117.33 1nkq h GLU 157 Ca 0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1nkq h GLU 157 Cb 0.05 -0.29 0.00 0.00 -0.84 0.00 0.00 28.75 27.67 1nkq h GLU 157 CO -0.00 0.85 0.00 1.63 -1.40 0.00 0.00 179.01 180.09 1nkq n LYS 158 N -4.40 0.11 -0.80 2.33 5.02 -0.67 -2.19 118.16 117.56 1nkq n LYS 158 Ca 0.12 0.51 0.03 0.00 -2.02 0.00 0.00 58.31 56.95 1nkq n LYS 158 Cb 0.03 -1.79 0.05 0.00 -0.02 0.00 0.00 35.03 33.30 1nkq n LYS 158 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1nkq n PHE 159 N -2.01 0.00 0.29 2.13 1.16 -0.57 -4.88 117.46 113.57 1nkq n PHE 159 Ca 0.00 -0.49 0.15 0.00 -1.87 0.00 0.00 57.45 55.25 1nkq n PHE 159 Cb 0.10 -0.12 0.88 0.00 -1.61 0.00 0.00 39.48 38.72 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 0.47 0.00 0.17 5.98 4.64 -0.51 -1.49 113.55 122.81 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 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1nkq h SER 160 CO 0.04 0.05 0.00 -1.54 -0.87 0.00 0.00 176.83 174.51 1nkq n SER 161 N -3.60 0.00 -0.66 4.97 3.41 -1.26 -3.11 113.62 113.36 1nkq n SER 161 Ca -0.02 -0.63 0.04 0.00 -0.26 0.00 0.00 58.87 58.00 1nkq n SER 161 Cb 0.16 -0.09 0.20 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.09 0.40 0.12 7.33 4.02 -0.56 -4.72 117.16 122.66 1nkq n TYR 162 Ca 0.19 -1.34 0.05 0.00 -0.01 0.00 0.00 57.90 56.79 1nkq n TYR 162 Cb 0.14 -0.30 0.51 0.00 -0.02 0.00 0.00 39.34 39.67 1nkq n TYR 162 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1nkq h LYS 163 N 0.85 0.28 -0.10 -0.72 3.64 -1.66 -1.11 116.57 117.74 1nkq h LYS 163 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1nkq h LYS 163 Cb 1.23 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1nkq h LYS 163 CO 0.13 0.21 0.00 -1.13 -2.27 0.00 0.00 179.45 176.39 1nkq n SER 164 N -4.48 0.69 -0.73 4.20 3.41 -1.26 -4.08 113.62 111.37 1nkq n SER 164 Ca 0.00 -1.76 -0.02 0.00 -0.26 0.00 0.00 58.87 56.84 1nkq n SER 164 Cb 0.10 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 1nkq n SER 164 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1nkq n ASN 165 N -0.23 -0.23 0.24 4.04 5.15 -0.65 -4.96 115.26 118.61 1nkq n ASN 165 Ca 0.10 -1.50 0.16 0.00 -0.60 0.00 0.00 54.58 52.74 1nkq n ASN 165 Cb 0.14 0.04 0.78 0.00 -0.53 0.00 0.00 39.78 40.21 1nkq n ASN 165 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 1nkq h LEU 166 N 0.08 0.00 -1.95 1.20 8.10 -1.39 -2.47 115.31 118.88 1nkq h LEU 166 Ca -0.19 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.78 1nkq h LEU 166 Cb 1.24 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.46 1nkq h LEU 166 CO -0.08 0.00 -0.11 -0.61 -4.11 0.00 0.00 178.44 173.53 1nkq h GLN 167 N 0.00 0.00 -0.01 0.17 5.75 -1.92 -3.20 115.11 115.90 1nkq h GLN 167 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1nkq h GLN 167 Cb 0.22 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.77 1nkq h GLN 167 CO 0.00 0.11 -0.06 -0.25 -2.65 0.00 0.00 178.83 175.98 1nkq n ASP 168 N -3.83 1.51 0.13 -0.69 8.00 -0.93 -3.52 116.55 117.22 1nkq n ASP 168 Ca -0.02 -1.25 0.12 0.00 0.71 0.00 0.00 54.79 54.35 1nkq n ASP 168 Cb 0.21 0.16 0.24 0.00 -0.02 0.00 0.00 41.12 41.72 1nkq n ASP 168 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1nkq h ILE 169 N 1.44 0.00 -2.93 0.53 3.07 -1.55 -3.43 117.51 114.64 1nkq h ILE 169 Ca 0.00 -0.69 -0.53 0.00 1.55 0.00 0.00 64.86 65.20 1nkq h ILE 169 Cb 0.34 1.54 -0.02 0.00 -0.27 0.00 0.00 36.82 38.41 1nkq h ILE 169 CO 0.00 0.00 -0.28 -0.36 -1.05 0.00 0.00 178.15 176.46 1nkq s PHE 170 N -3.17 3.48 -0.16 0.16 0.40 -1.26 -0.41 117.98 117.02 1nkq s PHE 170 Ca 0.07 0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 56.71 1nkq s PHE 170 Cb 0.10 -1.92 0.05 0.00 0.51 0.00 0.00 43.02 41.76 1nkq s PHE 170 CO 0.67 0.31 0.40 0.50 0.70 0.00 0.00 175.22 177.80 1nkq s ARG 171 N -3.43 0.42 -0.01 0.44 3.52 -0.42 -0.74 118.95 118.73 1nkq s ARG 171 Ca 0.40 0.66 0.08 0.00 -0.13 0.00 0.00 55.73 56.74 1nkq s ARG 171 Cb -0.11 0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.36 1nkq s ARG 171 CO 0.29 -0.10 -0.26 0.14 -0.81 0.00 0.00 175.30 174.56 1nkq s VAL 172 N 0.77 2.10 0.03 7.11 -7.23 -0.17 -0.11 120.40 122.90 1nkq s VAL 172 Ca -0.05 -1.16 0.02 0.00 -1.81 0.00 0.00 61.98 58.99 1nkq s VAL 172 Cb -0.06 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 1nkq s VAL 172 CO -0.06 0.54 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.65 1nkq s LYS 173 N -0.74 0.56 -0.01 4.82 1.02 -0.45 -2.22 119.74 122.72 1nkq s LYS 173 Ca 0.10 -0.58 0.01 0.00 0.02 0.00 0.00 55.97 55.52 1nkq s LYS 173 Cb -0.10 -0.44 0.00 0.00 -0.52 0.00 0.00 37.83 36.78 1nkq s LYS 173 CO -0.00 0.10 -0.03 0.00 -0.92 0.00 0.00 175.35 174.50 1nkq s SER 175 N 0.14 0.36 -0.15 0.00 0.01 0.19 -0.89 113.70 113.36 1nkq s SER 175 Ca -0.01 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.11 1nkq s SER 175 Cb -0.04 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.20 1nkq s SER 175 CO -0.00 -0.03 -0.18 -0.69 0.41 0.00 0.00 173.24 172.75 1nkq s VAL 176 N -0.36 1.80 -1.51 3.43 1.01 0.87 -0.76 120.40 124.88 1nkq s VAL 176 Ca -0.02 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 1nkq s VAL 176 Cb -0.03 -1.64 0.08 0.00 0.00 0.00 0.00 36.38 34.79 1nkq s VAL 176 CO -0.00 0.50 0.93 0.59 0.00 0.00 0.00 175.10 177.12 1nkq n ASN 177 N 4.47 -4.21 0.00 3.32 3.02 -0.24 -1.47 115.26 120.15 1nkq n ASN 177 Ca -0.19 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1nkq n ASN 177 Cb 0.51 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 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 -1.68 3.13 3.71 7.41 0.00 -1.26 -5.04 105.19 111.46 1nkq n GLY 178 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1nkq n GLY 178 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nkq s GLN 179 N -0.55 4.36 0.13 1.61 -0.21 -0.54 -5.05 119.66 119.40 1nkq s GLN 179 Ca 0.00 0.62 -0.30 0.00 0.02 0.00 0.00 55.36 55.70 1nkq s GLN 179 Cb 0.00 -3.46 -0.06 0.00 1.00 0.00 0.00 33.01 30.49 1nkq s GLN 179 CO 0.00 0.08 1.03 -1.17 -2.12 0.00 0.00 175.29 173.11 1nkq s LEU 180 N 0.83 4.48 0.00 2.90 2.96 -1.26 -0.09 118.68 128.50 1nkq s LEU 180 Ca 0.30 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1nkq s LEU 180 Cb -0.16 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1nkq s LEU 180 CO 0.13 -0.16 0.00 0.54 -1.32 0.00 0.00 176.35 175.54 1nkq n ARG 181 N 2.75 0.54 -5.05 1.98 1.74 -0.07 -4.94 116.66 113.61 1nkq n ARG 181 Ca 0.03 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.83 1nkq n ARG 181 Cb 0.48 -0.88 -0.16 0.00 -1.02 0.00 0.00 32.46 30.88 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 -1.77 2.00 -0.42 5.56 -0.21 -1.05 -4.40 119.66 119.38 1nkq s GLN 182 Ca 0.00 -0.76 0.04 0.00 0.02 0.00 0.00 55.36 54.66 1nkq s GLN 182 Cb 0.00 -1.79 0.19 0.00 1.00 0.00 0.00 33.01 32.41 1nkq s GLN 182 CO 0.00 0.37 0.75 0.34 -2.12 0.00 0.00 175.29 174.63 1nkq s ASP 183 N -0.22 -1.24 0.06 5.90 2.15 -1.25 -1.33 116.67 120.73 1nkq s ASP 183 Ca 0.01 -0.89 -0.04 0.00 0.43 0.00 0.00 52.55 52.06 1nkq s ASP 183 Cb -0.11 1.60 -0.02 0.00 -0.30 0.00 0.00 42.92 44.09 1nkq s ASP 183 CO 0.02 -0.11 0.06 -0.83 -0.17 0.00 0.00 175.17 174.13 1nkq s GLY 184 N 1.57 0.30 0.38 2.66 0.00 -0.94 -4.99 107.32 106.30 1nkq s GLY 184 Ca 0.20 -0.92 0.05 0.00 0.00 0.00 0.00 44.72 44.05 1nkq s GLY 184 CO -0.08 -1.05 0.54 -0.32 0.00 0.00 0.00 173.10 172.19 1nkq s GLY 185 N -2.76 1.64 0.00 0.20 0.00 -1.26 -1.00 107.32 104.14 1nkq s GLY 185 Ca 0.04 -1.39 0.18 0.00 0.00 0.00 0.00 44.72 43.55 1nkq s GLY 185 CO -0.09 -1.26 1.52 -1.30 0.00 0.00 0.00 173.10 171.96 1nkq n THR 186 N -1.80 0.38 1.68 0.90 -2.24 0.08 -2.20 114.28 111.08 1nkq n THR 186 Ca 0.02 0.09 0.15 0.00 -2.27 0.00 0.00 64.05 62.04 1nkq n THR 186 Cb 0.58 -0.80 0.84 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.22 0.03 -4.38 3.42 0.23 -1.23 -4.74 115.26 107.37 1nkq n ASN 187 Ca 0.10 -0.54 -0.46 0.00 -0.53 0.00 0.00 54.58 53.15 1nkq n ASN 187 Cb 0.12 -0.15 -0.02 0.00 -2.08 0.00 0.00 39.78 37.65 1nkq n ASN 187 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1nkq s LEU 188 N -2.32 6.10 0.00 -4.53 1.43 -0.93 -5.06 118.68 113.37 1nkq s LEU 188 Ca 0.37 -2.54 0.00 0.00 -1.03 0.00 0.00 54.13 50.93 1nkq s LEU 188 Cb 0.21 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1nkq s LEU 188 CO 0.42 -0.73 0.00 0.18 0.23 0.00 0.00 176.35 176.45 1nkq n LEU 190 N 4.83 1.47 -4.10 1.79 4.77 0.41 -1.80 117.00 124.37 1nkq n LEU 190 Ca 0.19 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.83 1nkq n LEU 190 Cb 0.47 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.42 1nkq n LEU 190 CO 0.41 0.21 -0.35 -1.00 -1.33 0.00 0.00 177.39 175.33 1nkq s HIS 191 N -1.68 3.44 0.70 -1.77 3.76 -1.26 -5.07 115.29 113.40 1nkq s HIS 191 Ca 0.00 -2.36 -0.16 0.00 -0.15 0.00 0.00 55.06 52.39 1nkq s HIS 191 Cb 0.00 -2.44 -0.02 0.00 1.11 0.00 0.00 32.58 31.23 1nkq s HIS 191 CO 0.00 -0.89 0.79 -0.35 -0.85 0.00 0.00 174.74 173.44 1nkq n PRO 192 N 4.48 0.48 -0.23 8.40 -0.04 -1.26 -4.64 135.00 142.18 1nkq n PRO 192 Ca -0.07 0.21 0.01 0.00 -0.04 0.00 0.00 63.50 63.60 1nkq n PRO 192 Cb 0.42 -2.05 0.08 0.00 -0.04 0.00 0.00 33.50 31.92 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 -0.17 -0.60 -2.17 1.53 4.07 -1.95 0.34 115.31 116.36 1nkq h LEU 193 Ca -0.47 0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.68 1nkq h LEU 193 Cb 1.35 0.41 -0.00 0.00 1.08 0.00 0.00 40.66 43.50 1nkq h LEU 193 CO 0.46 -0.22 -0.06 1.12 -1.08 0.00 0.00 178.44 178.66 1nkq h HIS 194 N 0.01 0.00 0.06 1.13 2.07 -1.89 -2.18 115.15 114.35 1nkq h HIS 194 Ca 0.34 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 57.59 1nkq h HIS 194 Cb 0.52 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.48 1nkq h HIS 194 CO -0.53 0.06 -1.33 -0.22 -3.07 0.00 0.00 177.93 172.84 1nkq h LYS 195 N 0.00 0.13 0.23 5.12 1.63 -1.30 -2.97 116.57 119.41 1nkq h LYS 195 Ca -0.00 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.57 1nkq h LYS 195 Cb 0.14 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1nkq h LYS 195 CO 0.01 0.99 -0.11 0.82 -3.45 0.00 0.00 179.45 177.71 1nkq h ILE 196 N 0.03 0.82 -0.05 2.00 2.04 -0.68 0.20 117.51 121.88 1nkq h ILE 196 Ca -0.15 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1nkq h ILE 196 Cb 1.92 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 39.02 1nkq h ILE 196 CO 0.14 0.07 0.03 -0.07 0.00 0.00 0.00 178.15 178.33 1nkq h LEU 197 N -0.48 0.06 -0.22 1.44 3.38 -1.62 -2.24 115.31 115.63 1nkq h LEU 197 Ca -0.03 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1nkq h LEU 197 Cb 0.36 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1nkq h LEU 197 CO 0.05 0.09 0.10 -0.61 0.09 0.00 0.00 178.44 178.17 1nkq h GLN 198 N 0.02 0.21 -0.25 1.13 -0.00 -1.50 -2.45 115.11 112.28 1nkq h GLN 198 Ca 0.02 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.63 1nkq h GLN 198 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 1nkq h GLN 198 CO -0.00 0.14 0.05 1.25 0.00 0.00 0.00 178.83 180.27 1nkq h HIS 199 N 0.22 0.44 -0.97 3.99 2.76 -0.90 -2.97 115.15 117.71 1nkq h HIS 199 Ca 0.09 -0.06 0.04 0.00 -2.20 0.00 0.00 60.37 58.24 1nkq h HIS 199 Cb 0.03 -0.12 -0.06 0.00 1.55 0.00 0.00 27.41 28.81 1nkq h HIS 199 CO -0.10 0.52 0.63 0.82 -1.30 0.00 0.00 177.93 178.50 1nkq h ILE 200 N 0.23 1.16 -0.18 6.26 2.04 -1.37 -1.99 117.51 123.66 1nkq h ILE 200 Ca 0.08 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.57 1nkq h ILE 200 Cb 0.31 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1nkq h ILE 200 CO 0.00 0.22 0.21 0.77 0.00 0.00 0.00 178.15 179.36 1nkq h SER 201 N 1.22 0.00 0.00 1.72 4.64 -1.27 0.97 113.55 120.84 1nkq h SER 201 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1nkq h SER 201 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1nkq h SER 201 CO -0.13 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.18 1nkq n THR 202 N -3.76 0.00 -1.36 2.95 -2.24 -0.75 -1.35 114.28 107.77 1nkq n THR 202 Ca 0.02 0.00 -0.52 0.00 -2.27 0.00 0.00 64.05 61.27 1nkq n THR 202 Cb 0.33 -0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.38 0.02 -1.43 2.28 5.41 0.34 -4.89 119.36 120.71 1nkq n ILE 204 Ca 0.00 -0.07 -0.35 0.00 1.00 0.00 0.00 62.75 63.33 1nkq n ILE 204 Cb 0.04 -0.77 0.10 0.00 -0.71 0.00 0.00 39.64 38.29 1nkq n ILE 204 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1nkq s SER 205 N 7.33 4.11 0.00 4.38 0.01 -1.26 -4.85 113.70 123.42 1nkq s SER 205 Ca 1.22 2.47 0.03 0.00 1.31 0.00 0.00 55.95 60.99 1nkq s SER 205 Cb -1.28 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 62.32 1nkq s SER 205 CO 0.57 -2.33 -0.07 -0.76 0.41 0.00 0.00 173.24 171.06 1nkq s LEU 206 N -5.05 3.15 0.12 2.44 1.43 0.21 -4.96 118.68 116.03 1nkq s LEU 206 Ca 0.77 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 1nkq s LEU 206 Cb -0.32 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1nkq s LEU 206 CO 0.45 0.28 -0.08 -1.83 0.23 0.00 0.00 176.35 175.40 1nkq s GLU 207 N -1.41 0.96 0.16 1.70 -1.05 -1.26 0.18 118.70 117.98 1nkq s GLU 207 Ca 0.17 -1.40 -0.34 0.00 -0.15 0.00 0.00 54.97 53.25 1nkq s GLU 207 Cb -0.11 -0.42 -0.16 0.00 -0.44 0.00 0.00 34.13 33.00 1nkq s GLU 207 CO 0.07 0.03 1.26 -2.30 0.95 0.00 0.00 175.26 175.27 1nkq n PRO 208 N -0.13 1.31 0.00 -4.83 -0.02 -1.25 -1.95 135.00 128.14 1nkq n PRO 208 Ca -0.11 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1nkq n PRO 208 Cb 0.61 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 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 2.23 3.25 3.76 -1.23 0.00 0.23 -4.81 105.19 108.62 1nkq n GLY 209 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.04 6.54 -0.22 1.61 1.01 -0.82 -3.70 116.67 120.05 1nkq s ASP 210 Ca 0.00 2.81 -0.08 0.00 0.71 0.00 0.00 52.55 55.99 1nkq s ASP 210 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1nkq s ASP 210 CO 0.00 -0.76 0.09 -0.63 0.21 0.00 0.00 175.17 174.07 1nkq s ILE 211 N -0.36 4.79 -0.23 0.77 1.01 -0.88 -1.35 121.20 124.94 1nkq s ILE 211 Ca 0.58 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 61.18 1nkq s ILE 211 Cb -0.44 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 38.84 1nkq s ILE 211 CO 0.49 0.39 -0.07 -0.63 0.00 0.00 0.00 174.94 175.13 1nkq s ILE 212 N 0.90 2.98 -0.20 2.92 -1.09 -0.48 -1.82 121.20 124.41 1nkq s ILE 212 Ca 0.05 -0.81 -0.20 0.00 -2.23 0.00 0.00 60.65 57.46 1nkq s ILE 212 Cb -0.14 -2.43 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 1nkq s ILE 212 CO 0.03 0.32 0.58 -0.76 -1.23 0.00 0.00 174.94 173.87 1nkq s LEU 213 N 1.38 4.14 -0.00 2.97 1.43 -0.50 -0.92 118.68 127.17 1nkq s LEU 213 Ca 0.03 0.75 0.11 0.00 -1.03 0.00 0.00 54.13 53.98 1nkq s LEU 213 Cb -0.15 -2.80 0.31 0.00 0.03 0.00 0.00 46.19 43.58 1nkq s LEU 213 CO -0.05 -0.24 1.25 0.35 0.23 0.00 0.00 176.35 177.90 1nkq n THR 214 N 4.66 0.50 0.00 5.49 -2.24 -0.66 -2.57 114.28 119.47 1nkq n THR 214 Ca -0.03 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1nkq n THR 214 Cb 0.50 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 1.04 1.87 3.23 3.38 0.00 -1.25 -4.83 105.19 108.63 1nkq n GLY 215 Ca 0.12 -2.06 -0.20 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.04 1.37 0.80 2.61 -1.32 -1.26 -4.15 115.64 111.65 1nkq s THR 216 Ca 0.00 -1.55 -0.10 0.00 -1.21 0.00 0.00 61.69 58.83 1nkq s THR 216 Cb 0.00 -1.40 0.11 0.00 -1.51 0.00 0.00 72.50 69.70 1nkq s THR 216 CO 0.00 -0.27 1.14 -2.16 -2.21 0.00 0.00 174.62 171.12 1nkq s PRO 217 N -2.20 1.62 0.83 7.08 0.04 -1.26 -4.27 135.00 136.84 1nkq s PRO 217 Ca 0.05 -0.33 -0.13 0.00 0.04 0.00 0.00 61.00 60.64 1nkq s PRO 217 Cb -0.08 -2.05 0.10 0.00 0.04 0.00 0.00 34.50 32.51 1nkq s PRO 217 CO 0.03 -1.69 1.20 0.00 0.04 0.00 0.00 177.00 176.58 1nkq s ALA 218 N -3.50 1.76 0.00 8.56 0.00 -1.26 -4.39 121.76 122.94 1nkq s ALA 218 Ca 0.65 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1nkq s ALA 218 Cb -0.08 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1nkq s ALA 218 CO 0.48 -2.40 0.00 0.41 0.00 0.00 0.00 175.76 174.25 1nkq n GLY 219 N 0.46 1.33 3.64 0.00 0.00 -1.26 -4.45 105.19 104.90 1nkq n GLY 219 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.75 1.87 -3.95 1.61 3.14 -1.26 -4.48 118.33 114.50 1nkq n VAL 220 Ca 0.00 -0.47 -0.04 0.00 -2.96 0.00 0.00 64.34 60.87 1nkq n VAL 220 Cb 0.00 -1.24 -0.01 0.00 -1.06 0.00 0.00 33.84 31.53 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 1.16 3.51 3.86 7.55 0.00 -1.25 -4.99 105.19 115.02 1nkq n GLY 221 Ca 0.08 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.27 3.31 -0.12 1.61 2.12 -1.26 -2.00 118.70 120.09 1nkq s GLU 222 Ca 0.08 -0.33 -0.00 0.00 0.36 0.00 0.00 54.97 55.08 1nkq s GLU 222 Cb 0.00 -3.04 -0.02 0.00 0.26 0.00 0.00 34.13 31.34 1nkq s GLU 222 CO 0.06 0.69 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.83 1nkq s LEU 223 N -1.66 2.76 0.12 2.70 1.43 0.64 -4.92 118.68 119.76 1nkq s LEU 223 Ca 0.23 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1nkq s LEU 223 Cb -0.12 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1nkq s LEU 223 CO 0.14 0.19 -0.20 -0.54 0.23 0.00 0.00 176.35 176.16 1nkq s LYS 224 N 0.22 1.17 0.14 1.70 -0.14 -1.26 -4.13 119.74 117.44 1nkq s LYS 224 Ca -0.08 -1.23 -0.34 0.00 -1.36 0.00 0.00 55.97 52.96 1nkq s LYS 224 Cb -0.15 -1.38 -0.14 0.00 -1.68 0.00 0.00 37.83 34.48 1nkq s LYS 224 CO 0.05 0.31 1.59 -0.35 -0.76 0.00 0.00 175.35 176.18 1nkq n PRO 225 N 0.86 2.08 0.00 -1.68 -0.04 -1.26 -1.26 135.00 133.71 1nkq n PRO 225 Ca -0.18 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1nkq n PRO 225 Cb 0.54 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 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 3.43 2.87 3.76 0.55 0.00 0.10 -4.91 105.19 110.99 1nkq n GLY 226 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1nkq n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nkq s ASP 227 N -1.42 5.37 -0.16 1.61 1.01 -0.38 -4.74 116.67 117.96 1nkq s ASP 227 Ca 0.00 2.24 -0.02 0.00 0.71 0.00 0.00 52.55 55.48 1nkq s ASP 227 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 1nkq s ASP 227 CO 0.00 -1.46 -0.09 0.00 0.21 0.00 0.00 175.17 173.83 1nkq s ARG 228 N -3.44 3.43 -0.18 8.23 1.70 -1.26 -1.54 118.95 125.90 1nkq s ARG 228 Ca 0.74 -0.64 -0.03 0.00 -0.47 0.00 0.00 55.73 55.33 1nkq s ARG 228 Cb -0.26 -2.78 -0.02 0.00 -0.57 0.00 0.00 34.95 31.32 1nkq s ARG 228 CO 0.32 0.11 -0.07 0.08 -1.08 0.00 0.00 175.30 174.66 1nkq s VAL 229 N 0.65 3.43 -0.16 4.99 1.01 0.14 -1.08 120.40 129.38 1nkq s VAL 229 Ca -0.05 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1nkq s VAL 229 Cb -0.15 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.74 1nkq s VAL 229 CO 0.02 0.47 -0.21 -2.28 0.00 0.00 0.00 175.10 173.11 1nkq s HIS 230 N 0.84 2.73 0.14 5.22 5.04 0.06 -1.47 115.29 127.84 1nkq s HIS 230 Ca -0.02 -1.52 0.06 0.00 -1.54 0.00 0.00 55.06 52.04 1nkq s HIS 230 Cb -0.15 -1.87 -0.04 0.00 0.04 0.00 0.00 32.58 30.56 1nkq s HIS 230 CO 0.01 -0.73 -0.15 0.00 -2.34 0.00 0.00 174.74 171.54 1nkq s GLU 232 N -2.81 0.93 -0.13 0.00 -1.05 -0.00 -4.38 118.70 111.27 1nkq s GLU 232 Ca 0.11 -0.09 0.01 0.00 -0.15 0.00 0.00 54.97 54.85 1nkq s GLU 232 Cb -0.04 0.43 -0.01 0.00 -0.44 0.00 0.00 34.13 34.07 1nkq s GLU 232 CO 0.04 -0.30 -0.17 -1.17 0.95 0.00 0.00 175.26 174.61 1nkq s LEU 233 N -1.57 2.47 0.02 1.83 0.20 0.54 -1.34 118.68 120.82 1nkq s LEU 233 Ca -0.09 -0.43 0.07 0.00 0.69 0.00 0.00 54.13 54.37 1nkq s LEU 233 Cb -0.02 -1.54 -0.03 0.00 -0.43 0.00 0.00 46.19 44.18 1nkq s LEU 233 CO 0.03 0.14 -0.21 -0.76 -0.29 0.00 0.00 176.35 175.27 1nkq s LEU 234 N 0.46 2.44 -0.20 -0.68 1.43 0.85 -0.46 118.68 122.51 1nkq s LEU 234 Ca -0.12 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1nkq s LEU 234 Cb -0.16 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 44.65 1nkq s LEU 234 CO 0.05 0.28 -0.14 -1.58 0.23 0.00 0.00 176.35 175.18 1nkq s GLN 235 N -1.19 2.44 -1.48 1.70 0.74 -0.20 -1.30 119.66 120.36 1nkq s GLN 235 Ca 0.13 -0.89 -0.12 0.00 0.05 0.00 0.00 55.36 54.53 1nkq s GLN 235 Cb -0.10 -2.51 0.07 0.00 1.10 0.00 0.00 33.01 31.56 1nkq s GLN 235 CO 0.03 -0.35 0.88 0.09 -0.55 0.00 0.00 175.29 175.39 1nkq n ASN 236 N 4.63 -4.99 -1.30 6.67 3.02 0.45 -1.23 115.26 122.52 1nkq n ASN 236 Ca -0.17 -0.63 -0.15 0.00 -0.03 0.00 0.00 54.58 53.59 1nkq n ASN 236 Cb 0.47 -4.00 -0.05 0.00 -0.61 0.00 0.00 39.78 35.60 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 -2.72 -4.77 -4.29 6.41 3.02 -1.26 -5.01 115.26 106.63 1nkq n ASN 237 Ca 0.01 0.28 -0.34 0.00 -0.03 0.00 0.00 54.58 54.51 1nkq n ASN 237 Cb 0.54 -3.68 -0.15 0.00 -0.61 0.00 0.00 39.78 35.89 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 -2.72 3.90 0.04 6.41 1.01 -0.36 -5.04 116.67 119.90 1nkq s ASP 238 Ca 0.00 -0.42 -0.33 0.00 0.71 0.00 0.00 52.55 52.50 1nkq s ASP 238 Cb 0.00 -1.62 -0.12 0.00 1.01 0.00 0.00 42.92 42.18 1nkq s ASP 238 CO 0.00 0.07 1.77 -3.20 0.21 0.00 0.00 175.17 174.01 1nkq n ASN 239 N 4.20 3.43 0.00 0.27 2.85 -1.26 -1.03 115.26 123.72 1nkq n ASN 239 Ca -0.19 1.01 0.00 0.00 -0.11 0.00 0.00 54.58 55.29 1nkq n ASN 239 Cb 0.51 -1.42 0.00 0.00 1.24 0.00 0.00 39.78 40.11 1nkq n ASN 239 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1nkq n ILE 240 N 4.47 0.00 -3.71 -1.44 -5.35 0.39 -4.90 119.36 108.82 1nkq n ILE 240 Ca 0.20 -0.36 -0.11 0.00 -0.27 0.00 0.00 62.75 62.20 1nkq n ILE 240 Cb 0.31 0.90 -0.12 0.00 -1.74 0.00 0.00 39.64 38.99 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 -1.04 -0.04 -0.03 7.28 1.01 -0.99 -4.96 120.40 121.63 1nkq s VAL 241 Ca 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1nkq s VAL 241 Cb 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.89 1nkq s VAL 241 CO 0.00 0.05 0.10 -0.62 0.00 0.00 0.00 175.10 174.63 1nkq s ASP 242 N 1.35 -0.06 -0.28 3.32 -1.08 -1.26 -0.34 116.67 118.33 1nkq s ASP 242 Ca -0.09 0.07 -0.26 0.00 -0.52 0.00 0.00 52.55 51.75 1nkq s ASP 242 Cb -0.09 0.21 0.16 0.00 -1.46 0.00 0.00 42.92 41.74 1nkq s ASP 242 CO -0.11 -0.13 1.23 0.20 0.52 0.00 0.00 175.17 176.89 1nkq s ASN 244 N -0.37 -0.24 0.06 -0.34 0.01 -1.26 -5.01 114.94 107.79 1nkq s ASN 244 Ca -0.04 0.42 -0.00 0.00 -0.71 0.00 0.00 52.86 52.52 1nkq s ASN 244 Cb -0.03 0.41 -0.04 0.00 0.41 0.00 0.00 41.25 42.00 1nkq s ASN 244 CO 0.00 -0.11 -0.04 -0.36 -1.51 0.00 0.00 177.10 175.09 1nkq s PHE 245 N -0.13 0.57 0.03 2.20 0.40 -0.54 -4.49 117.98 116.02 1nkq s PHE 245 Ca 0.05 -0.99 0.06 0.00 -0.60 0.00 0.00 56.93 55.45 1nkq s PHE 245 Cb -0.04 -0.40 -0.02 0.00 0.51 0.00 0.00 43.02 43.07 1nkq s PHE 245 CO -0.09 -0.32 -0.18 -1.83 0.70 0.00 0.00 175.22 173.50 1nkq s GLU 246 N -3.68 1.23 -0.01 0.44 -1.05 -1.26 -0.68 118.70 113.69 1nkq s GLU 246 Ca 0.06 -0.82 -0.12 0.00 -0.15 0.00 0.00 54.97 53.94 1nkq s GLU 246 Cb 0.06 -1.29 -0.05 0.00 -0.44 0.00 0.00 34.13 32.41 1nkq s GLU 246 CO -0.08 0.33 0.35 0.00 0.95 0.00 0.00 175.26 176.80 1nkq s GLU 248 N -1.21 0.67 0.47 0.00 2.12 -0.21 0.02 118.70 120.55 1nkq s GLU 248 Ca 0.23 -0.99 -0.23 0.00 0.36 0.00 0.00 54.97 54.35 1nkq s GLU 248 Cb -0.15 0.26 -0.07 0.00 0.26 0.00 0.00 34.13 34.42 1nkq s GLU 248 CO 0.12 -0.17 1.21 -0.80 -0.54 0.00 0.00 175.26 175.08 1nkq s ASN 249 N -2.64 6.05 -0.06 -1.70 0.01 -1.26 0.14 114.94 115.48 1nkq s ASN 249 Ca 0.02 2.41 -0.25 0.00 -0.71 0.00 0.00 52.86 54.34 1nkq s ASN 249 Cb 0.04 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 1nkq s ASN 249 CO -0.09 -1.00 0.76 -0.60 -1.51 0.00 0.00 177.10 174.66 1nkq s ARG 250 N -2.67 4.45 0.00 -0.60 3.52 0.10 -4.59 118.95 119.17 1nkq s ARG 250 Ca 0.64 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 57.24 1nkq s ARG 250 Cb -0.31 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 1nkq s ARG 250 CO 0.38 0.02 0.00 -2.30 -0.81 0.00 0.00 175.30 172.59 1nkq n PRO 251 N 3.88 -0.97 0.00 5.12 -0.02 -1.26 -4.62 135.00 137.12 1nkq n PRO 251 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1nkq n PRO 251 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1nkq n PRO 251 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nkq n GLY 252 N 2.00 -1.13 0.00 -1.23 0.00 -1.26 -4.62 105.19 98.95 1nkq n GLY 252 Ca 0.00 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.28 0.01 -1.94 1.61 -0.04 -1.26 -4.91 135.00 127.19 1nkq n PRO 253 Ca 0.00 0.08 -0.38 0.00 -0.04 0.00 0.00 63.50 63.16 1nkq n PRO 253 Cb 0.00 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 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 -2.99 2.53 -0.30 0.54 5.04 -1.26 -5.03 117.35 115.88 1nkq s TYR 254 Ca 0.12 1.41 -0.10 0.00 -2.44 0.00 0.00 57.07 56.05 1nkq s TYR 254 Cb 0.16 -3.69 0.16 0.00 0.35 0.00 0.00 41.96 38.94 1nkq s TYR 254 CO 0.44 -2.44 0.82 -2.00 -1.34 0.00 0.00 175.55 171.03 1nkq s GLU 255 N -2.71 0.42 0.10 4.97 2.12 -1.26 -4.27 118.70 118.07 1nkq s GLU 255 Ca 0.66 0.96 -0.31 0.00 0.36 0.00 0.00 54.97 56.64 1nkq s GLU 255 Cb -0.37 0.56 -0.09 0.00 0.26 0.00 0.00 34.13 34.49 1nkq s GLU 255 CO 0.46 -0.25 1.65 0.12 -0.54 0.00 0.00 175.26 176.70 1nkq s PHE 256 N 2.74 2.57 -0.08 5.30 5.36 0.57 -4.99 117.98 129.44 1nkq s PHE 256 Ca 0.01 0.37 -0.01 0.00 -0.96 0.00 0.00 56.93 56.34 1nkq s PHE 256 Cb -0.10 -3.98 0.03 0.00 -0.34 0.00 0.00 43.02 38.63 1nkq s PHE 256 CO -0.18 -3.85 -0.02 1.03 -1.46 0.00 0.00 175.22 170.74 1nkq s ARG 257 N 2.25 0.86 0.00 10.12 0.52 -1.26 -4.71 118.95 126.72 1nkq s ARG 257 Ca 0.74 0.00 0.03 0.00 -0.52 0.00 0.00 55.73 55.98 1nkq s ARG 257 Cb -0.42 -1.12 0.21 0.00 0.52 0.00 0.00 34.95 34.15 1nkq s ARG 257 CO 0.32 -0.28 0.69 -1.91 0.02 0.00 0.00 175.30 174.14