#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1khq s PRO 2 N 0.00 1.53 0.35 6.28 0.02 -1.26 -4.97 135.00 136.95 1khq s PRO 2 Ca 0.00 0.83 0.18 0.00 0.02 0.00 0.00 61.00 62.03 1khq s PRO 2 Cb 0.00 -1.84 0.45 0.00 0.02 0.00 0.00 34.50 33.13 1khq s PRO 2 CO 0.00 -2.05 1.62 0.93 -0.33 0.00 0.00 177.00 177.17 1khq h GLU 3 N -1.41 0.00 -3.94 5.54 5.08 -1.99 -3.44 114.58 114.42 1khq h GLU 3 Ca -0.48 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.52 1khq h GLU 3 Cb 1.27 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.20 1khq h GLU 3 CO 0.55 0.40 -0.76 0.71 -1.00 0.00 0.00 179.01 178.91 1khq s TYR 4 N -3.32 0.49 -0.02 4.33 2.02 -1.26 -3.68 117.35 115.90 1khq s TYR 4 Ca 0.02 -0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.65 1khq s TYR 4 Cb 0.09 -0.47 0.01 0.00 -0.40 0.00 0.00 41.96 41.19 1khq s TYR 4 CO 0.70 -0.12 -0.06 0.08 -1.57 0.00 0.00 175.55 174.58 1khq s VAL 5 N 0.74 0.53 -0.27 0.71 1.01 -0.50 -4.98 120.40 117.64 1khq s VAL 5 Ca -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1khq s VAL 5 Cb -0.12 -0.50 0.13 0.00 0.00 0.00 0.00 36.38 35.89 1khq s VAL 5 CO -0.01 0.19 0.28 -0.62 0.00 0.00 0.00 175.10 174.94 1khq s ASP 6 N 0.40 1.62 0.40 3.32 -1.08 -1.26 -1.19 116.67 118.88 1khq s ASP 6 Ca -0.05 -0.62 0.28 0.00 -0.52 0.00 0.00 52.55 51.64 1khq s ASP 6 Cb -0.09 0.48 1.39 0.00 -1.46 0.00 0.00 42.92 43.24 1khq s ASP 6 CO -0.00 -0.37 1.85 -0.50 0.52 0.00 0.00 175.17 176.67 1khq h TRP 7 N 8.27 0.00 -0.44 -5.34 4.06 -1.47 -1.56 115.95 119.48 1khq h TRP 7 Ca -0.15 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.72 1khq h TRP 7 Cb 1.09 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.23 1khq h TRP 7 CO 0.24 0.00 -0.07 0.00 -3.56 0.00 0.00 178.44 175.06 1khq h ARG 8 N 0.00 0.75 0.00 0.49 3.08 -1.93 -2.32 114.38 114.46 1khq h ARG 8 Ca 0.00 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1khq h ARG 8 Cb 0.17 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1khq h ARG 8 CO 0.00 0.81 0.00 1.96 -1.07 0.00 0.00 179.97 181.67 1khq h GLN 9 N 0.69 0.00 -0.45 0.04 4.20 -1.69 -2.70 115.11 115.21 1khq h GLN 9 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1khq h GLN 9 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1khq h GLN 9 CO 0.03 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.82 1khq n LYS 10 N -2.91 2.31 -1.98 1.46 5.02 -1.01 -4.95 118.16 116.11 1khq n LYS 10 Ca 0.02 -2.01 -0.09 0.00 -2.02 0.00 0.00 58.31 54.21 1khq n LYS 10 Cb 0.34 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.87 1khq n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1khq n GLY 11 N 1.41 0.23 0.63 0.72 0.00 -1.02 -4.94 105.19 102.23 1khq n GLY 11 Ca 0.19 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.72 1khq n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khq n ALA 12 N -0.88 2.19 -3.59 4.61 0.00 -0.91 -4.72 120.51 117.22 1khq n ALA 12 Ca -0.10 -1.12 -0.24 0.00 0.00 0.00 0.00 53.44 51.98 1khq n ALA 12 Cb 0.52 -0.43 -0.17 0.00 0.00 0.00 0.00 19.45 19.37 1khq n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1khq s VAL 13 N -1.00 0.99 0.74 0.00 1.01 -1.26 -3.91 120.40 116.98 1khq s VAL 13 Ca 0.23 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 1khq s VAL 13 Cb 0.12 -0.94 0.09 0.00 0.00 0.00 0.00 36.38 35.65 1khq s VAL 13 CO 0.16 0.33 1.06 0.42 0.00 0.00 0.00 175.10 177.07 1khq s THR 14 N 0.94 2.21 0.85 3.92 -4.23 -1.26 -4.94 115.64 113.12 1khq s THR 14 Ca -0.10 -0.25 -0.12 0.00 -1.18 0.00 0.00 61.69 60.04 1khq s THR 14 Cb -0.15 -2.96 0.09 0.00 1.34 0.00 0.00 72.50 70.83 1khq s THR 14 CO 0.01 0.00 1.06 -2.65 -0.54 0.00 0.00 174.62 172.49 1khq n PRO 15 N -3.04 -0.06 -2.25 3.99 -0.02 -1.26 -4.94 135.00 127.42 1khq n PRO 15 Ca 0.10 0.06 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 1khq n PRO 15 Cb 0.60 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1khq n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1khq s VAL 16 N -2.29 3.08 0.38 -1.45 1.01 -1.26 -5.03 120.40 114.83 1khq s VAL 16 Ca 0.69 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.78 1khq s VAL 16 Cb -0.27 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1khq s VAL 16 CO 0.55 0.22 0.20 -0.54 0.00 0.00 0.00 175.10 175.53 1khq s LYS 17 N -1.21 2.35 -0.18 2.72 -0.14 -1.26 -4.76 119.74 117.26 1khq s LYS 17 Ca 0.50 -1.65 0.00 0.00 -1.36 0.00 0.00 55.97 53.47 1khq s LYS 17 Cb -0.37 -2.15 0.04 0.00 -1.68 0.00 0.00 37.83 33.68 1khq s LYS 17 CO 0.45 -0.02 -0.09 1.21 -0.76 0.00 0.00 175.35 176.14 1khq s ASN 18 N -3.92 3.07 0.31 2.83 3.84 -1.26 -1.50 114.94 118.32 1khq s ASN 18 Ca 0.41 -0.74 0.26 0.00 0.21 0.00 0.00 52.86 53.00 1khq s ASN 18 Cb -0.00 -1.12 0.97 0.00 -0.55 0.00 0.00 41.25 40.54 1khq s ASN 18 CO 0.24 -0.14 1.77 0.06 -2.79 0.00 0.00 177.10 176.23 1khq h GLN 19 N 8.03 0.00 0.00 0.43 3.07 -1.31 -3.48 115.11 121.86 1khq h GLN 19 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.45 1khq h GLN 19 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.67 1khq h GLN 19 CO 0.46 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.79 1khq n GLY 20 N 0.39 0.26 0.00 0.06 0.00 -1.26 -3.67 105.19 100.97 1khq n GLY 20 Ca 0.03 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.31 1khq n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1khq n SER 21 N -1.05 0.00 -4.74 1.61 3.41 -1.26 -4.82 113.62 106.77 1khq n SER 21 Ca 0.00 0.34 -0.41 0.00 -0.26 0.00 0.00 58.87 58.55 1khq n SER 21 Cb 0.00 -0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 63.46 1khq n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1khq n GLY 23 N 1.97 4.62 0.87 0.00 0.00 0.19 -4.58 105.19 108.25 1khq n GLY 23 Ca 0.02 -1.83 0.07 0.00 0.00 0.00 0.00 46.02 44.27 1khq n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1khq n SER 24 N 4.59 3.56 -0.32 1.61 3.41 -1.26 -2.58 113.62 122.63 1khq n SER 24 Ca 0.50 -3.14 0.14 0.00 -0.26 0.00 0.00 58.87 56.11 1khq n SER 24 Cb 0.35 -0.55 0.37 0.00 -0.26 0.00 0.00 64.21 64.12 1khq n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1khq h TRP 26 N 0.69 1.15 -0.21 0.00 5.08 -1.84 -0.43 115.95 120.40 1khq h TRP 26 Ca 0.53 0.03 -0.14 0.00 1.08 0.00 0.00 58.89 60.38 1khq h TRP 26 Cb 0.90 -0.38 0.00 0.00 -3.00 0.00 0.00 29.16 26.69 1khq h TRP 26 CO -0.00 0.63 -0.44 0.00 -1.28 0.00 0.00 178.44 177.35 1khq h ALA 27 N 1.41 0.33 -0.49 0.11 0.00 -1.51 -2.64 119.26 116.47 1khq h ALA 27 Ca 0.39 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1khq h ALA 27 Cb 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1khq h ALA 27 CO -0.14 0.46 0.31 0.74 0.00 0.00 0.00 179.25 180.61 1khq h PHE 28 N 0.35 0.57 -0.07 0.00 -1.00 -1.20 -1.45 116.94 114.15 1khq h PHE 28 Ca 0.00 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.82 1khq h PHE 28 Cb 1.04 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 40.40 1khq h PHE 28 CO 0.09 0.34 -0.03 1.03 -1.61 0.00 0.00 178.31 178.13 1khq h SER 29 N 0.62 -0.10 -0.74 2.17 0.87 -1.13 -2.10 113.55 113.13 1khq h SER 29 Ca 0.19 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1khq h SER 29 Cb -0.02 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 1khq h SER 29 CO -0.07 -0.04 0.47 0.00 -0.53 0.00 0.00 176.83 176.66 1khq h ALA 30 N 1.04 0.95 -0.32 6.23 0.00 -1.36 -2.70 119.26 123.10 1khq h ALA 30 Ca 0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1khq h ALA 30 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1khq h ALA 30 CO -0.08 0.39 -0.05 0.28 0.00 0.00 0.00 179.25 179.78 1khq h VAL 31 N 1.01 1.21 -0.89 0.00 2.07 -0.92 -1.87 116.25 116.86 1khq h VAL 31 Ca 0.27 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1khq h VAL 31 Cb -0.08 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1khq h VAL 31 CO -0.05 0.30 0.59 0.58 0.02 0.00 0.00 177.57 179.00 1khq h VAL 32 N 0.49 1.22 -0.29 2.57 2.07 -1.05 -0.36 116.25 120.89 1khq h VAL 32 Ca 0.10 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 1khq h VAL 32 Cb 0.40 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1khq h VAL 32 CO 0.02 0.22 -0.23 0.71 0.02 0.00 0.00 177.57 178.30 1khq h THR 33 N 1.19 1.27 -0.12 2.57 1.35 -1.29 -1.87 112.91 116.01 1khq h THR 33 Ca 0.33 -1.27 -0.03 0.00 -0.55 0.00 0.00 66.41 64.89 1khq h THR 33 Cb -0.13 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1khq h THR 33 CO -0.07 0.41 -0.04 0.40 -0.25 0.00 0.00 175.52 175.96 1khq h ILE 34 N 0.49 1.30 -0.92 6.82 2.04 -0.88 -1.09 117.51 125.28 1khq h ILE 34 Ca 0.07 -1.02 0.12 0.00 1.00 0.00 0.00 64.86 65.03 1khq h ILE 34 Cb 0.67 1.74 -0.08 0.00 -0.74 0.00 0.00 36.82 38.41 1khq h ILE 34 CO 0.05 0.29 0.55 -0.33 0.00 0.00 0.00 178.15 178.71 1khq h GLU 35 N -0.09 0.82 -0.03 2.37 5.08 -1.00 -1.62 114.58 120.11 1khq h GLU 35 Ca 0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1khq h GLU 35 Cb 0.48 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1khq h GLU 35 CO 0.01 0.54 -0.02 0.78 -1.00 0.00 0.00 179.01 179.33 1khq h GLY 36 N 0.85 0.07 1.86 -3.84 0.00 -1.22 -2.83 103.07 97.96 1khq h GLY 36 Ca 0.47 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.64 1khq h GLY 36 CO -0.29 0.06 -0.34 1.19 0.00 0.00 0.00 176.54 177.17 1khq h ILE 37 N -0.35 1.27 -0.45 2.60 6.09 -0.90 -1.84 117.51 123.92 1khq h ILE 37 Ca 0.01 -1.29 -0.13 0.00 -1.37 0.00 0.00 64.86 62.08 1khq h ILE 37 Cb 0.47 1.58 -0.01 0.00 0.47 0.00 0.00 36.82 39.33 1khq h ILE 37 CO 0.01 0.38 -0.22 0.40 -3.07 0.00 0.00 178.15 175.65 1khq h ILE 38 N 0.14 1.27 -0.60 2.19 1.08 -1.36 -1.27 117.51 118.96 1khq h ILE 38 Ca 0.02 -1.37 -0.04 0.00 -0.39 0.00 0.00 64.86 63.07 1khq h ILE 38 Cb 0.67 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.55 1khq h ILE 38 CO 0.05 0.47 0.21 0.50 -0.69 0.00 0.00 178.15 178.69 1khq h LYS 39 N 0.80 0.92 -0.40 2.37 1.63 -1.19 0.45 116.57 121.16 1khq h LYS 39 Ca 0.11 -0.19 -0.08 0.00 -0.85 0.00 0.00 60.65 59.64 1khq h LYS 39 Cb 0.78 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 1khq h LYS 39 CO 0.06 0.81 -0.07 0.82 -3.45 0.00 0.00 179.45 177.63 1khq h ILE 40 N 0.85 1.24 0.08 2.00 2.04 -1.16 0.70 117.51 123.26 1khq h ILE 40 Ca 0.20 -1.04 -0.31 0.00 1.00 0.00 0.00 64.86 64.71 1khq h ILE 40 Cb 0.26 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1khq h ILE 40 CO -0.01 0.35 -1.68 0.03 0.00 0.00 0.00 178.15 176.84 1khq h ARG 41 N 0.63 0.18 0.00 2.37 2.47 -1.02 -3.41 114.38 115.60 1khq h ARG 41 Ca 0.12 -0.31 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 1khq h ARG 41 Cb 0.49 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1khq h ARG 41 CO 0.03 0.97 -0.83 0.25 0.56 0.00 0.00 179.97 180.94 1khq n THR 42 N -3.35 0.00 -0.30 2.04 -2.24 0.13 -5.01 114.28 105.55 1khq n THR 42 Ca -0.20 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1khq n THR 42 Cb 1.04 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 1khq n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1khq n GLY 43 N 1.46 1.33 3.48 3.38 0.00 0.24 -5.03 105.19 110.05 1khq n GLY 43 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1khq n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1khq s ASN 44 N -3.12 4.53 -0.26 1.61 0.02 -1.26 -4.99 114.94 111.48 1khq s ASN 44 Ca 0.00 -0.16 -0.12 0.00 -1.02 0.00 0.00 52.86 51.56 1khq s ASN 44 Cb 0.00 -1.58 -0.05 0.00 0.02 0.00 0.00 41.25 39.65 1khq s ASN 44 CO 0.00 0.22 0.22 -0.22 0.02 0.00 0.00 177.10 177.33 1khq s LEU 45 N 0.07 4.06 0.17 0.60 2.96 -1.26 -3.31 118.68 121.97 1khq s LEU 45 Ca -0.02 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 1khq s LEU 45 Cb -0.14 -2.18 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 1khq s LEU 45 CO 0.03 -0.03 -0.09 0.20 -1.32 0.00 0.00 176.35 175.14 1khq s ASN 46 N 1.46 1.94 -0.09 3.68 -0.87 -1.26 -5.09 114.94 114.70 1khq s ASN 46 Ca 0.09 -1.05 -0.07 0.00 -1.57 0.00 0.00 52.86 50.27 1khq s ASN 46 Cb -0.15 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.25 41.01 1khq s ASN 46 CO 0.08 -0.33 0.16 -1.61 -2.57 0.00 0.00 177.10 172.84 1khq s GLU 47 N -3.75 3.47 0.44 -0.60 2.02 -1.26 -4.74 118.70 114.27 1khq s GLU 47 Ca 0.19 -0.13 0.05 0.00 0.02 0.00 0.00 54.97 55.10 1khq s GLU 47 Cb 0.02 -3.17 -0.06 0.00 0.10 0.00 0.00 34.13 31.03 1khq s GLU 47 CO 0.03 0.75 0.01 0.71 0.02 0.00 0.00 175.26 176.79 1khq s TYR 48 N -1.09 2.25 -0.45 1.61 2.02 -1.26 -1.36 117.35 119.07 1khq s TYR 48 Ca 0.18 -0.80 -0.19 0.00 -0.37 0.00 0.00 57.07 55.89 1khq s TYR 48 Cb -0.12 -1.67 0.03 0.00 -0.40 0.00 0.00 41.96 39.80 1khq s TYR 48 CO 0.07 0.33 0.54 0.45 -1.57 0.00 0.00 175.55 175.36 1khq s SER 49 N -3.74 6.24 0.24 2.29 0.15 -0.67 -4.17 113.70 114.03 1khq s SER 49 Ca 0.26 -0.66 -0.05 0.00 0.70 0.00 0.00 55.95 56.20 1khq s SER 49 Cb 0.07 -2.26 0.25 0.00 -1.71 0.00 0.00 66.02 62.37 1khq s SER 49 CO 0.13 -0.71 1.78 -0.33 1.20 0.00 0.00 173.24 175.31 1khq h GLU 50 N 8.83 1.03 -0.97 5.44 3.07 -1.86 -3.16 114.58 126.95 1khq h GLU 50 Ca -0.26 -0.21 0.05 0.00 -0.50 0.00 0.00 59.36 58.43 1khq h GLU 50 Cb 1.10 -0.15 -0.06 0.00 -0.84 0.00 0.00 28.75 28.80 1khq h GLU 50 CO 0.86 0.89 0.63 0.37 -1.40 0.00 0.00 179.01 180.36 1khq h GLN 51 N 0.99 1.15 -0.75 2.33 5.75 -1.84 -1.58 115.11 121.16 1khq h GLN 51 Ca 0.22 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.61 1khq h GLN 51 Cb 0.29 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 1khq h GLN 51 CO -0.01 0.76 0.32 1.49 -2.65 0.00 0.00 178.83 178.75 1khq h GLU 52 N 1.19 1.10 -0.38 1.69 4.81 -1.79 -0.21 114.58 120.98 1khq h GLU 52 Ca 0.40 -0.18 -0.15 0.00 -0.13 0.00 0.00 59.36 59.30 1khq h GLU 52 Cb 0.07 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1khq h GLU 52 CO -0.14 0.88 -0.34 -0.07 -0.73 0.00 0.00 179.01 178.60 1khq h LEU 53 N 1.09 0.93 -0.48 1.64 3.38 -1.47 0.14 115.31 120.53 1khq h LEU 53 Ca 0.26 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1khq h LEU 53 Cb 0.17 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1khq h LEU 53 CO -0.03 1.18 0.26 0.25 0.09 0.00 0.00 178.44 180.19 1khq h LEU 54 N 0.73 0.40 -0.14 1.67 5.85 -0.82 -0.35 115.31 122.65 1khq h LEU 54 Ca 0.07 0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.59 1khq h LEU 54 Cb 0.92 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1khq h LEU 54 CO 0.08 0.28 -0.98 0.44 -0.34 0.00 0.00 178.44 177.92 1khq h ASP 55 N 0.52 0.25 0.00 1.25 3.32 -0.90 -3.40 116.42 117.46 1khq h ASP 55 Ca 0.20 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1khq h ASP 55 Cb 0.08 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1khq h ASP 55 CO -0.12 1.08 -1.64 0.00 -1.72 0.00 0.00 179.24 176.84 1khq s ASP 57 N -3.63 6.28 0.00 0.00 2.15 -0.16 -4.83 116.67 116.48 1khq s ASP 57 Ca -0.05 -1.06 0.31 0.00 0.43 0.00 0.00 52.55 52.18 1khq s ASP 57 Cb 0.09 -2.48 1.69 0.00 -0.30 0.00 0.00 42.92 41.92 1khq s ASP 57 CO 0.57 -1.51 2.12 0.54 -0.17 0.00 0.00 175.17 176.72 1khq n ARG 58 N 8.19 0.71 0.16 4.34 5.12 -1.26 -1.90 116.66 132.02 1khq n ARG 58 Ca 0.08 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.05 1khq n ARG 58 Cb 0.48 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.37 1khq n ARG 58 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1khq h ARG 59 N 0.00 0.00 -6.92 5.56 3.08 -1.98 -3.45 114.38 110.67 1khq h ARG 59 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 1khq h ARG 59 Cb 0.14 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.25 1khq h ARG 59 CO 0.00 0.37 0.02 -1.12 -1.07 0.00 0.00 179.97 178.16 1khq s SER 60 N -6.38 4.72 -0.26 7.04 0.01 -0.80 -4.89 113.70 113.14 1khq s SER 60 Ca 0.04 -0.45 0.08 0.00 1.31 0.00 0.00 55.95 56.94 1khq s SER 60 Cb 0.07 -0.07 0.45 0.00 0.21 0.00 0.00 66.02 66.68 1khq s SER 60 CO 0.72 -1.58 1.22 -1.22 0.41 0.00 0.00 173.24 172.79 1khq n TYR 61 N -2.57 1.65 0.00 2.43 4.01 0.89 -4.99 117.16 118.58 1khq n TYR 61 Ca 0.14 -1.94 0.00 0.00 -0.16 0.00 0.00 57.90 55.94 1khq n TYR 61 Cb 0.61 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1khq n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1khq n GLY 62 N -0.88 3.77 0.00 2.72 0.00 -1.23 -0.66 105.19 108.92 1khq n GLY 62 Ca 0.34 0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.56 1khq n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khq n ASN 64 N -1.09 3.07 0.00 0.00 3.02 0.17 -0.64 115.26 119.79 1khq n ASN 64 Ca 0.20 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.78 1khq n ASN 64 Cb 0.14 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 1khq n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1khq n GLY 65 N 1.42 2.40 0.00 7.41 0.00 -1.07 -4.88 105.19 110.48 1khq n GLY 65 Ca 0.19 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1khq n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1khq n GLY 66 N -0.45 1.12 2.82 -0.02 0.00 -1.26 -0.07 105.19 107.33 1khq n GLY 66 Ca 0.00 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 1khq n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1khq s TYR 67 N -3.16 1.19 0.41 1.61 2.02 -1.26 -4.83 117.35 113.33 1khq s TYR 67 Ca 0.00 -0.70 0.13 0.00 -0.37 0.00 0.00 57.07 56.13 1khq s TYR 67 Cb 0.00 -1.07 0.97 0.00 -0.40 0.00 0.00 41.96 41.46 1khq s TYR 67 CO 0.00 -0.51 1.94 -1.35 -1.57 0.00 0.00 175.55 174.06 1khq h PRO 68 N 8.22 0.48 -0.32 -1.71 0.11 -1.97 -2.04 132.00 134.77 1khq h PRO 68 Ca -0.22 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.76 1khq h PRO 68 Cb 1.12 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1khq h PRO 68 CO 0.34 0.32 -0.25 0.11 -0.21 0.00 0.00 178.00 178.31 1khq h TRP 69 N 0.50 0.72 -0.18 0.65 5.08 -1.95 -1.30 115.95 119.47 1khq h TRP 69 Ca 0.34 -0.16 -0.15 0.00 1.08 0.00 0.00 58.89 60.00 1khq h TRP 69 Cb 0.64 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 26.62 1khq h TRP 69 CO -0.00 0.82 -0.52 0.66 -1.28 0.00 0.00 178.44 178.12 1khq h SER 70 N 0.56 0.56 -0.57 0.11 4.64 -1.81 -0.51 113.55 116.53 1khq h SER 70 Ca 0.08 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 61.06 1khq h SER 70 Cb 0.72 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1khq h SER 70 CO 0.06 0.98 0.18 0.00 -0.87 0.00 0.00 176.83 177.18 1khq h ALA 71 N 1.04 0.75 -0.22 5.18 0.00 -1.37 -0.47 119.26 124.17 1khq h ALA 71 Ca 0.01 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1khq h ALA 71 Cb 1.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1khq h ALA 71 CO 0.10 0.41 -0.41 -0.07 0.00 0.00 0.00 179.25 179.28 1khq h LEU 72 N 0.80 0.55 -0.98 0.00 3.38 -0.90 -2.50 115.31 115.66 1khq h LEU 72 Ca 0.19 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1khq h LEU 72 Cb 0.28 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1khq h LEU 72 CO -0.01 0.89 0.17 1.56 0.09 0.00 0.00 178.44 181.15 1khq h GLN 73 N 0.43 0.91 -0.76 1.13 4.20 -0.74 -2.49 115.11 117.78 1khq h GLN 73 Ca 0.04 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 1khq h GLN 73 Cb 0.89 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 1khq h GLN 73 CO 0.08 0.80 0.26 1.25 -0.67 0.00 0.00 178.83 180.55 1khq h LEU 74 N 0.88 1.08 -0.95 1.46 5.85 -0.72 -2.55 115.31 120.36 1khq h LEU 74 Ca 0.19 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1khq h LEU 74 Cb 0.28 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1khq h LEU 74 CO -0.01 0.99 -0.49 0.58 -0.34 0.00 0.00 178.44 179.17 1khq h VAL 75 N 1.12 1.35 0.00 1.05 2.07 -1.25 0.13 116.25 120.73 1khq h VAL 75 Ca 0.25 -1.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.02 1khq h VAL 75 Cb 0.27 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1khq h VAL 75 CO -0.01 0.49 -0.21 0.00 0.02 0.00 0.00 177.57 177.86 1khq h ALA 76 N 1.44 0.98 0.00 1.67 0.00 -1.10 -2.43 119.26 119.82 1khq h ALA 76 Ca -0.00 -0.19 -0.37 0.00 0.00 0.00 0.00 54.91 54.35 1khq h ALA 76 Cb 0.90 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1khq h ALA 76 CO 0.07 0.26 -2.40 1.04 0.00 0.00 0.00 179.25 178.22 1khq n GLN 77 N -3.31 0.68 -0.05 0.00 6.02 -0.94 -4.68 117.38 115.10 1khq n GLN 77 Ca 0.01 0.10 -0.09 0.00 -0.01 0.00 0.00 57.00 57.01 1khq n GLN 77 Cb 0.46 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.19 1khq n GLN 77 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1khq n TYR 78 N -3.09 0.00 0.00 1.08 4.01 -0.01 -5.11 117.16 114.04 1khq n TYR 78 Ca -0.41 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 1khq n TYR 78 Cb 1.01 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 1khq n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1khq n GLY 79 N 2.19 0.62 3.18 2.72 0.00 -0.92 -4.94 105.19 108.05 1khq n GLY 79 Ca -0.15 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.58 1khq n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1khq s ILE 80 N -0.80 0.05 0.46 -0.61 2.07 -0.25 -4.50 121.20 117.61 1khq s ILE 80 Ca 0.00 -0.39 -0.04 0.00 -1.41 0.00 0.00 60.65 58.81 1khq s ILE 80 Cb 0.00 -0.50 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 1khq s ILE 80 CO 0.00 -0.21 0.74 -1.00 -1.91 0.00 0.00 174.94 172.55 1khq s HIS 81 N -0.91 3.49 0.58 3.50 3.76 -1.26 -0.68 115.29 123.76 1khq s HIS 81 Ca -0.10 0.65 -0.20 0.00 -0.15 0.00 0.00 55.06 55.26 1khq s HIS 81 Cb -0.05 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 1khq s HIS 81 CO 0.02 -0.26 1.32 0.71 -0.85 0.00 0.00 174.74 175.68 1khq s TYR 82 N -2.67 2.24 0.30 1.40 2.02 -1.26 -1.68 117.35 117.71 1khq s TYR 82 Ca 0.47 1.43 -0.02 0.00 -0.37 0.00 0.00 57.07 58.58 1khq s TYR 82 Cb -0.10 -3.73 0.45 0.00 -0.40 0.00 0.00 41.96 38.19 1khq s TYR 82 CO 0.42 -2.81 1.97 -0.09 -1.57 0.00 0.00 175.55 173.47 1khq h ARG 83 N 1.13 1.06 0.00 -0.62 2.43 -1.38 -2.06 114.38 114.94 1khq h ARG 83 Ca -0.51 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 58.55 1khq h ARG 83 Cb 1.31 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1khq h ARG 83 CO 0.56 0.71 -0.22 -0.91 -1.51 0.00 0.00 179.97 178.59 1khq h ASN 84 N 1.09 0.00 0.99 -3.80 2.35 -1.92 -1.12 115.58 113.17 1khq h ASN 84 Ca 0.29 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.85 1khq h ASN 84 Cb -0.11 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1khq h ASN 84 CO -0.06 0.22 -0.90 0.74 -1.65 0.00 0.00 177.43 175.79 1khq h THR 85 N 0.00 1.60 -1.88 2.81 2.02 -1.76 -3.39 112.91 112.30 1khq h THR 85 Ca -0.00 -3.12 -0.54 0.00 0.77 0.00 0.00 66.41 63.52 1khq h THR 85 Cb 0.61 2.71 -0.38 0.00 -1.74 0.00 0.00 68.15 69.35 1khq h THR 85 CO 0.03 0.88 -1.08 0.00 0.37 0.00 0.00 175.52 175.72 1khq n TYR 86 N -3.40 -0.51 -1.42 3.16 4.19 -0.92 -5.03 117.16 113.22 1khq n TYR 86 Ca 0.00 -3.47 -0.30 0.00 3.31 0.00 0.00 57.90 57.44 1khq n TYR 86 Cb 0.87 -0.24 0.10 0.00 0.49 0.00 0.00 39.34 40.56 1khq n TYR 86 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1khq s PRO 87 N -1.15 1.94 0.02 2.98 0.04 -0.47 -4.46 135.00 133.91 1khq s PRO 87 Ca 0.35 0.78 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 1khq s PRO 87 Cb 0.18 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 1khq s PRO 87 CO -0.12 -1.75 1.08 -0.47 0.04 0.00 0.00 177.00 175.78 1khq s TYR 88 N -3.05 3.54 -0.12 0.56 5.04 -1.26 -4.71 117.35 117.35 1khq s TYR 88 Ca 0.61 1.51 0.05 0.00 -2.44 0.00 0.00 57.07 56.80 1khq s TYR 88 Cb -0.16 -3.26 -0.06 0.00 0.35 0.00 0.00 41.96 38.83 1khq s TYR 88 CO 0.55 -0.61 0.16 0.39 -1.34 0.00 0.00 175.55 174.70 1khq n GLU 89 N 4.01 2.75 -1.09 4.97 1.02 -1.26 -5.03 120.64 126.01 1khq n GLU 89 Ca 0.08 -0.02 -0.03 0.00 -0.02 0.00 0.00 57.16 57.16 1khq n GLU 89 Cb 0.49 -0.92 -0.01 0.00 -0.02 0.00 0.00 31.44 30.97 1khq n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1khq n GLY 90 N 1.67 0.63 3.27 0.62 0.00 -1.26 -4.99 105.19 105.14 1khq n GLY 90 Ca -0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 1khq n GLY 90 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1khq s VAL 91 N -2.06 0.03 0.10 1.61 -7.23 -1.26 -4.55 120.40 107.04 1khq s VAL 91 Ca 0.00 -0.22 -0.30 0.00 -1.81 0.00 0.00 61.98 59.65 1khq s VAL 91 Cb 0.00 -0.60 -0.06 0.00 0.56 0.00 0.00 36.38 36.29 1khq s VAL 91 CO 0.00 -0.12 1.04 -1.58 -0.31 0.00 0.00 175.10 174.13 1khq s GLN 92 N -0.57 4.61 0.00 4.82 0.74 -1.26 -4.98 119.66 123.02 1khq s GLN 92 Ca -0.07 1.56 0.00 0.00 0.05 0.00 0.00 55.36 56.91 1khq s GLN 92 Cb -0.04 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.71 1khq s GLN 92 CO 0.03 0.07 0.00 0.54 -0.55 0.00 0.00 175.29 175.37 1khq n ARG 93 N 3.01 1.37 -2.60 1.67 1.74 -1.26 -5.08 116.66 115.51 1khq n ARG 93 Ca 0.04 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.80 1khq n ARG 93 Cb 0.48 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.87 1khq n ARG 93 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1khq s TYR 94 N -0.94 3.40 -0.14 -1.55 1.13 -1.26 -4.61 117.35 113.38 1khq s TYR 94 Ca 0.00 1.49 -0.29 0.00 -1.41 0.00 0.00 57.07 56.86 1khq s TYR 94 Cb 0.00 -2.79 -0.04 0.00 -1.10 0.00 0.00 41.96 38.03 1khq s TYR 94 CO 0.00 -0.24 1.54 0.00 -2.51 0.00 0.00 175.55 174.33 1khq n ARG 96 N 7.16 2.13 -0.23 0.00 1.74 -1.26 -4.72 116.66 121.47 1khq n ARG 96 Ca 0.17 -2.80 -0.01 0.00 -0.77 0.00 0.00 57.85 54.44 1khq n ARG 96 Cb 0.44 -1.70 0.11 0.00 -1.02 0.00 0.00 32.46 30.29 1khq n ARG 96 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1khq h SER 97 N 1.00 0.49 0.04 0.55 0.02 -1.95 -2.44 113.55 111.25 1khq h SER 97 Ca 0.02 0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.82 1khq h SER 97 Cb 1.28 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1khq h SER 97 CO 0.15 0.30 -0.70 -0.09 -1.14 0.00 0.00 176.83 175.34 1khq h ARG 98 N 0.62 0.60 0.00 3.45 2.43 -1.84 -2.86 114.38 116.78 1khq h ARG 98 Ca 0.31 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1khq h ARG 98 Cb 0.25 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1khq h ARG 98 CO -0.22 1.08 0.00 -0.85 -1.51 0.00 0.00 179.97 178.48 1khq n GLU 99 N -3.90 0.17 -0.11 0.20 0.28 -1.01 -2.60 120.64 113.66 1khq n GLU 99 Ca -0.05 0.27 0.12 0.00 -0.16 0.00 0.00 57.16 57.33 1khq n GLU 99 Cb 0.70 -1.75 0.27 0.00 1.43 0.00 0.00 31.44 32.09 1khq n GLU 99 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1khq n LYS 100 N -2.05 2.18 0.00 3.44 5.02 -0.95 -5.06 118.16 120.73 1khq n LYS 100 Ca 0.04 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.57 1khq n LYS 100 Cb 0.31 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1khq n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1khq n GLY 101 N 1.34 -2.14 3.71 0.72 0.00 -1.07 -4.97 105.19 102.78 1khq n GLY 101 Ca 0.18 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 1khq n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1khq n PRO 102 N -0.04 1.65 -1.56 1.61 -0.02 -1.26 -4.71 135.00 130.66 1khq n PRO 102 Ca 0.00 0.60 -0.35 0.00 -2.02 0.00 0.00 63.50 61.74 1khq n PRO 102 Cb 0.00 -2.44 0.08 0.00 -0.02 0.00 0.00 33.50 31.12 1khq n PRO 102 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1khq s TYR 103 N -1.29 2.15 -0.04 6.00 1.13 -1.26 -4.93 117.35 119.10 1khq s TYR 103 Ca 0.69 1.58 0.05 0.00 -1.41 0.00 0.00 57.07 57.97 1khq s TYR 103 Cb -0.45 -3.46 -0.25 0.00 -1.10 0.00 0.00 41.96 36.71 1khq s TYR 103 CO 0.52 -2.49 0.69 0.00 -2.51 0.00 0.00 175.55 171.75 1khq h ALA 104 N -0.06 0.56 -2.55 9.51 0.00 -1.24 -3.48 119.26 122.00 1khq h ALA 104 Ca -0.48 -1.34 -0.10 0.00 0.00 0.00 0.00 54.91 53.00 1khq h ALA 104 Cb 1.29 0.44 -0.17 0.00 0.00 0.00 0.00 17.79 19.36 1khq h ALA 104 CO 0.51 1.41 -0.26 0.00 0.00 0.00 0.00 179.25 180.91 1khq s ALA 105 N -2.60 -0.66 -0.05 0.00 0.00 -0.88 -5.01 121.76 112.56 1khq s ALA 105 Ca -0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.81 1khq s ALA 105 Cb 0.08 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.52 1khq s ALA 105 CO 0.82 -0.40 0.13 0.21 0.00 0.00 0.00 175.76 176.51 1khq s LYS 106 N -2.53 0.16 0.56 0.00 2.20 -1.26 -1.09 119.74 117.78 1khq s LYS 106 Ca -0.05 0.16 0.09 0.00 -0.36 0.00 0.00 55.97 55.81 1khq s LYS 106 Cb -0.01 0.08 0.08 0.00 -1.51 0.00 0.00 37.83 36.46 1khq s LYS 106 CO -0.03 -0.02 0.74 0.95 -0.36 0.00 0.00 175.35 176.63 1khq s THR 107 N 0.03 2.14 -0.17 3.43 -4.23 -1.20 -5.02 115.64 110.62 1khq s THR 107 Ca -0.00 -1.05 0.13 0.00 -1.18 0.00 0.00 61.69 59.58 1khq s THR 107 Cb -0.01 -2.19 -0.18 0.00 1.34 0.00 0.00 72.50 71.45 1khq s THR 107 CO 0.00 0.00 0.35 0.47 -0.54 0.00 0.00 174.62 174.90 1khq n ASP 108 N -2.17 1.66 0.00 3.99 8.00 0.19 -4.42 116.55 123.80 1khq n ASP 108 Ca 0.13 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1khq n ASP 108 Cb 0.62 1.44 0.00 0.00 -0.02 0.00 0.00 41.12 43.15 1khq n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1khq n GLY 109 N 1.64 -1.25 2.97 0.44 0.00 -1.09 -4.96 105.19 102.95 1khq n GLY 109 Ca -0.01 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 1khq n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1khq s VAL 110 N -2.97 0.24 0.06 1.61 1.01 -1.26 -1.45 120.40 117.64 1khq s VAL 110 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1khq s VAL 110 Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 1khq s VAL 110 CO 0.00 -0.25 -0.11 -0.13 0.00 0.00 0.00 175.10 174.62 1khq s ARG 111 N -0.92 0.67 -0.12 2.72 0.52 -0.36 -4.90 118.95 116.57 1khq s ARG 111 Ca -0.08 -0.87 -0.06 0.00 -0.52 0.00 0.00 55.73 54.20 1khq s ARG 111 Cb -0.06 -0.53 -0.04 0.00 0.52 0.00 0.00 34.95 34.84 1khq s ARG 111 CO -0.00 0.11 0.10 -1.14 0.02 0.00 0.00 175.30 174.38 1khq s GLN 112 N -1.75 3.38 0.36 3.54 0.74 -1.26 -1.52 119.66 123.15 1khq s GLN 112 Ca -0.05 -0.22 -0.26 0.00 0.05 0.00 0.00 55.36 54.88 1khq s GLN 112 Cb -0.09 -3.09 -0.09 0.00 1.10 0.00 0.00 33.01 30.83 1khq s GLN 112 CO 0.01 0.71 1.04 0.08 -0.55 0.00 0.00 175.29 176.58 1khq s VAL 113 N -0.86 3.76 0.10 1.34 1.01 0.40 -4.96 120.40 121.19 1khq s VAL 113 Ca 0.14 1.46 -0.33 0.00 0.00 0.00 0.00 61.98 63.24 1khq s VAL 113 Cb -0.12 -3.80 -0.13 0.00 0.00 0.00 0.00 36.38 32.33 1khq s VAL 113 CO 0.03 0.11 1.71 1.67 0.00 0.00 0.00 175.10 178.62 1khq n GLN 114 N 0.31 2.34 -1.56 2.72 7.27 -1.26 -4.66 117.38 122.54 1khq n GLN 114 Ca 0.03 0.85 -0.31 0.00 0.07 0.00 0.00 57.00 57.64 1khq n GLN 114 Cb 0.49 -2.67 0.05 0.00 2.41 0.00 0.00 30.24 30.52 1khq n GLN 114 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1khq s PRO 115 N 2.04 2.91 -1.46 3.69 0.04 -1.26 -4.05 135.00 136.91 1khq s PRO 115 Ca 0.82 0.97 -0.08 0.00 0.04 0.00 0.00 61.00 62.75 1khq s PRO 115 Cb -0.63 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 31.95 1khq s PRO 115 CO 0.41 -1.12 0.84 0.66 0.04 0.00 0.00 177.00 177.83 1khq n TYR 116 N -3.13 -2.30 -3.48 0.56 4.01 -0.46 -4.97 117.16 107.39 1khq n TYR 116 Ca 0.08 0.74 -0.21 0.00 -0.16 0.00 0.00 57.90 58.35 1khq n TYR 116 Cb 0.53 -4.43 -0.12 0.00 -0.31 0.00 0.00 39.34 35.01 1khq n TYR 116 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1khq s ASN 117 N -2.99 2.00 0.14 7.72 3.84 -1.26 -4.86 114.94 119.54 1khq s ASN 117 Ca 0.46 -0.66 -0.15 0.00 0.21 0.00 0.00 52.86 52.73 1khq s ASN 117 Cb -0.21 0.23 0.02 0.00 -0.55 0.00 0.00 41.25 40.73 1khq s ASN 117 CO 0.57 -0.37 1.69 -0.08 -2.79 0.00 0.00 177.10 176.12 1khq h GLU 118 N 8.32 0.69 -0.86 0.43 4.81 -1.91 -2.75 114.58 123.32 1khq h GLU 118 Ca -0.16 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 1khq h GLU 118 Cb 1.10 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 1khq h GLU 118 CO 0.33 0.63 0.43 0.78 -0.73 0.00 0.00 179.01 180.46 1khq h GLY 119 N 0.60 1.31 1.02 1.92 0.00 -1.98 -0.98 103.07 104.97 1khq h GLY 119 Ca 0.15 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1khq h GLY 119 CO -0.01 0.60 0.54 0.00 0.00 0.00 0.00 176.54 177.67 1khq h ALA 120 N 1.23 1.16 -0.34 3.60 0.00 -1.86 -1.18 119.26 121.87 1khq h ALA 120 Ca 0.30 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1khq h ALA 120 Cb 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1khq h ALA 120 CO -0.04 0.62 -0.20 1.25 0.00 0.00 0.00 179.25 180.88 1khq h LEU 121 N 1.25 0.77 -0.76 0.00 5.85 -1.08 -2.41 115.31 118.93 1khq h LEU 121 Ca 0.32 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1khq h LEU 121 Cb -0.04 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1khq h LEU 121 CO -0.06 1.02 0.46 -0.07 -0.34 0.00 0.00 178.44 179.45 1khq h LEU 122 N 0.52 0.91 -0.68 2.25 3.38 -1.00 -0.14 115.31 120.54 1khq h LEU 122 Ca 0.07 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1khq h LEU 122 Cb 0.75 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1khq h LEU 122 CO 0.06 0.70 0.44 0.22 0.09 0.00 0.00 178.44 179.95 1khq h TYR 123 N 1.03 0.82 -0.27 1.13 3.20 -1.14 -0.25 116.97 121.50 1khq h TYR 123 Ca 0.27 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 1khq h TYR 123 Cb -0.04 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 1khq h TYR 123 CO -0.01 0.49 0.07 0.77 -1.64 0.00 0.00 178.16 177.84 1khq h SER 124 N 0.87 0.40 -0.65 -2.11 0.02 -0.86 -2.70 113.55 108.52 1khq h SER 124 Ca 0.27 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1khq h SER 124 Cb -0.03 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 1khq h SER 124 CO -0.09 0.52 0.43 0.40 -1.14 0.00 0.00 176.83 176.96 1khq h ILE 125 N 0.26 1.12 0.00 3.27 2.04 -0.70 0.68 117.51 124.18 1khq h ILE 125 Ca 0.08 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1khq h ILE 125 Cb 0.28 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1khq h ILE 125 CO 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 178.15 178.26 1khq h ALA 126 N 1.61 1.15 0.02 1.87 0.00 -0.73 -2.95 119.26 120.24 1khq h ALA 126 Ca 0.25 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.79 1khq h ALA 126 Cb -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1khq h ALA 126 CO -0.06 0.06 -2.00 0.09 0.00 0.00 0.00 179.25 177.33 1khq n ASN 127 N -3.35 1.01 -3.60 0.00 3.02 0.11 -5.05 115.26 107.40 1khq n ASN 127 Ca -0.02 0.23 -0.04 0.00 -0.03 0.00 0.00 54.58 54.72 1khq n ASN 127 Cb 0.18 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.34 1khq n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1khq s GLN 128 N -2.56 0.48 0.54 3.52 -2.07 -0.49 -5.08 119.66 114.00 1khq s GLN 128 Ca -0.12 -0.21 -0.22 0.00 -1.82 0.00 0.00 55.36 52.99 1khq s GLN 128 Cb 0.07 0.20 -0.05 0.00 -1.09 0.00 0.00 33.01 32.14 1khq s GLN 128 CO 0.79 -0.21 1.37 -2.30 -1.32 0.00 0.00 175.29 173.62 1khq n PRO 129 N -0.23 1.75 -4.63 9.60 -0.02 -1.26 -3.92 135.00 136.29 1khq n PRO 129 Ca -0.03 0.64 -0.23 0.00 -2.02 0.00 0.00 63.50 61.86 1khq n PRO 129 Cb 0.60 -2.58 -0.15 0.00 -0.02 0.00 0.00 33.50 31.35 1khq n PRO 129 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1khq s VAL 130 N -1.28 1.27 -0.14 -1.45 1.01 -0.81 -4.74 120.40 114.27 1khq s VAL 130 Ca 0.71 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 61.58 1khq s VAL 130 Cb -0.42 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 1khq s VAL 130 CO 0.50 0.25 0.95 -0.55 0.00 0.00 0.00 175.10 176.24 1khq s SER 131 N -0.67 7.14 0.18 3.32 0.15 -0.09 -0.34 113.70 123.39 1khq s SER 131 Ca 0.05 1.40 0.04 0.00 0.70 0.00 0.00 55.95 58.14 1khq s SER 131 Cb -0.07 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.67 1khq s SER 131 CO 0.00 -0.45 -0.06 0.68 1.20 0.00 0.00 173.24 174.62 1khq s VAL 132 N 2.15 1.09 0.20 4.45 -7.23 -0.73 -1.26 120.40 119.08 1khq s VAL 132 Ca 0.45 -2.05 0.10 0.00 -1.81 0.00 0.00 61.98 58.67 1khq s VAL 132 Cb -0.17 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1khq s VAL 132 CO 0.15 -0.55 -0.20 0.68 -0.31 0.00 0.00 175.10 174.86 1khq s VAL 133 N -3.38 2.13 0.26 1.32 -7.23 -1.24 -0.87 120.40 111.39 1khq s VAL 133 Ca 0.22 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 58.14 1khq s VAL 133 Cb 0.04 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.93 1khq s VAL 133 CO 0.04 -0.30 0.56 -1.48 -0.31 0.00 0.00 175.10 173.61 1khq s LEU 134 N -2.93 0.16 -0.30 1.32 0.05 -0.32 -3.96 118.68 112.71 1khq s LEU 134 Ca 0.21 -0.86 -0.20 0.00 0.05 0.00 0.00 54.13 53.33 1khq s LEU 134 Cb -0.06 2.07 -0.01 0.00 -2.05 0.00 0.00 46.19 46.14 1khq s LEU 134 CO 0.10 -1.22 0.64 -0.70 -0.55 0.00 0.00 176.35 174.61 1khq s GLU 135 N -3.91 3.91 0.00 1.48 2.12 0.04 -1.06 118.70 121.28 1khq s GLU 135 Ca 0.19 0.33 0.07 0.00 0.36 0.00 0.00 54.97 55.92 1khq s GLU 135 Cb -0.02 -3.72 0.04 0.00 0.26 0.00 0.00 34.13 30.68 1khq s GLU 135 CO 0.09 -0.57 0.67 0.00 -0.54 0.00 0.00 175.26 174.91 1khq n ALA 136 N 5.89 2.52 0.13 6.30 0.00 -1.26 -4.66 120.51 129.43 1khq n ALA 136 Ca -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 53.44 52.94 1khq n ALA 136 Cb 0.49 -0.23 0.36 0.00 0.00 0.00 0.00 19.45 20.07 1khq n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1khq h ALA 137 N 1.30 1.43 -2.77 0.00 0.00 -1.90 -3.39 119.26 113.93 1khq h ALA 137 Ca 0.00 -0.26 -0.52 0.00 0.00 0.00 0.00 54.91 54.13 1khq h ALA 137 Cb 0.27 -0.08 0.09 0.00 0.00 0.00 0.00 17.79 18.07 1khq h ALA 137 CO 0.00 0.40 0.50 0.20 0.00 0.00 0.00 179.25 180.35 1khq s GLY 138 N -4.13 2.77 0.44 0.00 0.00 -1.26 -4.90 107.32 100.24 1khq s GLY 138 Ca -0.05 1.01 0.12 0.00 0.00 0.00 0.00 44.72 45.80 1khq s GLY 138 CO 0.74 1.45 2.01 0.50 0.00 0.00 0.00 173.10 177.80 1khq h LYS 139 N 1.60 0.17 -0.60 2.90 1.57 -1.92 -2.20 116.57 118.08 1khq h LYS 139 Ca -0.50 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.21 1khq h LYS 139 Cb 1.27 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 1khq h LYS 139 CO 0.58 0.24 0.22 -0.44 -0.57 0.00 0.00 179.45 179.48 1khq h ASP 140 N 0.17 0.85 -0.38 0.86 3.32 -1.91 -1.18 116.42 118.15 1khq h ASP 140 Ca 0.04 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 1khq h ASP 140 Cb 0.21 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1khq h ASP 140 CO 0.01 0.81 -0.01 0.15 -1.72 0.00 0.00 179.24 178.48 1khq h PHE 141 N 0.85 0.74 -0.61 4.55 3.04 -1.73 -2.80 116.94 120.98 1khq h PHE 141 Ca 0.20 -0.13 0.00 0.00 3.98 0.00 0.00 57.97 62.02 1khq h PHE 141 Cb 0.24 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.53 1khq h PHE 141 CO 0.01 0.77 0.38 1.96 -2.02 0.00 0.00 178.31 179.42 1khq h GLN 142 N 0.50 0.81 -0.55 1.11 4.20 -1.04 -2.71 115.11 117.43 1khq h GLN 142 Ca 0.11 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1khq h GLN 142 Cb 0.49 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1khq h GLN 142 CO 0.02 0.55 0.00 1.28 -0.67 0.00 0.00 178.83 180.02 1khq n LEU 143 N -4.43 3.26 -4.67 1.46 4.77 -0.48 -4.97 117.00 111.95 1khq n LEU 143 Ca 0.06 -1.57 -0.45 0.00 -0.03 0.00 0.00 56.01 54.01 1khq n LEU 143 Cb 0.06 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 1khq n LEU 143 CO 0.36 0.79 1.19 0.00 -1.33 0.00 0.00 177.39 178.40 1khq n TYR 144 N 1.30 2.31 -0.04 -1.77 9.36 -1.02 -4.88 117.16 122.42 1khq n TYR 144 Ca 0.20 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.69 1khq n TYR 144 Cb 0.53 -2.55 0.00 0.00 -0.63 0.00 0.00 39.34 36.70 1khq n TYR 144 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1khq n ARG 145 N 3.31 3.12 0.00 2.98 1.74 -1.26 -2.58 116.66 123.96 1khq n ARG 145 Ca 0.16 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1khq n ARG 145 Cb 0.30 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 1khq n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1khq n GLY 146 N 0.50 3.43 0.34 -0.13 0.00 -1.26 -4.45 105.19 103.62 1khq n GLY 146 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1khq n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1khq n GLY 147 N -1.55 -3.35 3.60 -0.02 0.00 -1.26 -4.86 105.19 97.76 1khq n GLY 147 Ca 0.00 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1khq n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1khq s ILE 148 N -0.68 4.72 -0.09 -0.61 1.01 -1.26 -4.25 121.20 120.03 1khq s ILE 148 Ca 0.00 1.13 -0.28 0.00 0.00 0.00 0.00 60.65 61.50 1khq s ILE 148 Cb 0.00 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 1khq s ILE 148 CO 0.00 -0.37 0.92 0.12 0.00 0.00 0.00 174.94 175.61 1khq s PHE 149 N 3.14 3.54 -0.63 3.97 5.36 0.17 -4.84 117.98 128.68 1khq s PHE 149 Ca 0.34 1.50 0.06 0.00 -0.96 0.00 0.00 56.93 57.87 1khq s PHE 149 Cb -0.13 -3.08 0.08 0.00 -0.34 0.00 0.00 43.02 39.54 1khq s PHE 149 CO 0.15 -0.13 0.82 1.33 -1.46 0.00 0.00 175.22 175.93 1khq n VAL 150 N 4.33 0.31 0.00 3.12 0.24 -1.26 -1.39 118.33 123.67 1khq n VAL 150 Ca 0.06 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 1khq n VAL 150 Cb 0.50 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 1khq n VAL 150 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1khq n GLY 151 N 0.22 -1.02 3.76 7.63 0.00 -1.26 -4.72 105.19 109.80 1khq n GLY 151 Ca 0.04 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 1khq n GLY 151 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1khq s PRO 152 N 0.00 3.33 -0.08 1.61 0.02 -1.26 -4.97 135.00 133.65 1khq s PRO 152 Ca 0.00 2.16 -0.30 0.00 0.02 0.00 0.00 61.00 62.88 1khq s PRO 152 Cb 0.00 -2.33 0.11 0.00 0.02 0.00 0.00 34.50 32.29 1khq s PRO 152 CO 0.00 -1.02 0.89 0.00 -0.33 0.00 0.00 177.00 176.54 1khq n GLY 154 N 0.39 1.32 0.80 0.00 0.00 -1.26 -4.62 105.19 101.82 1khq n GLY 154 Ca -0.12 -1.96 0.05 0.00 0.00 0.00 0.00 46.02 43.99 1khq n GLY 154 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1khq n ASN 155 N -0.45 3.10 -4.40 1.61 2.04 -1.26 -3.83 115.26 112.07 1khq n ASN 155 Ca 0.00 -3.29 -0.44 0.00 -0.44 0.00 0.00 54.58 50.41 1khq n ASN 155 Cb 0.00 -0.55 0.00 0.00 -2.53 0.00 0.00 39.78 36.70 1khq n ASN 155 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1khq n LYS 156 N -0.89 3.42 -1.81 -3.83 4.76 -1.26 -4.72 118.16 113.82 1khq n LYS 156 Ca 0.24 -3.88 -0.41 0.00 -2.87 0.00 0.00 58.31 51.38 1khq n LYS 156 Cb 0.88 -2.99 -0.01 0.00 -1.84 0.00 0.00 35.03 31.08 1khq n LYS 156 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1khq s VAL 157 N 1.19 2.09 0.00 -0.18 -7.23 -1.26 -4.43 120.40 110.57 1khq s VAL 157 Ca 0.42 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.67 1khq s VAL 157 Cb -0.02 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 33.86 1khq s VAL 157 CO -0.00 0.02 0.16 -0.90 -0.31 0.00 0.00 175.10 174.07 1khq n ASP 158 N 0.95 0.00 -3.73 4.85 5.68 -0.23 -4.88 116.55 119.19 1khq n ASP 158 Ca 0.03 -1.00 -0.12 0.00 -0.50 0.00 0.00 54.79 53.20 1khq n ASP 158 Cb 0.39 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.24 1khq n ASP 158 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1khq s HIS 159 N 0.00 -0.36 -0.19 2.11 5.04 -0.82 -4.89 115.29 116.18 1khq s HIS 159 Ca 0.00 0.84 -0.09 0.00 -1.54 0.00 0.00 55.06 54.27 1khq s HIS 159 Cb 0.00 0.08 -0.05 0.00 0.04 0.00 0.00 32.58 32.65 1khq s HIS 159 CO 0.00 -0.24 0.12 0.00 -2.34 0.00 0.00 174.74 172.28 1khq s ALA 160 N 1.21 3.66 0.00 1.58 0.00 -1.26 -1.17 121.76 125.78 1khq s ALA 160 Ca -0.09 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1khq s ALA 160 Cb -0.10 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1khq s ALA 160 CO -0.09 0.22 0.00 1.33 0.00 0.00 0.00 175.76 177.23 1khq n VAL 161 N 3.33 0.00 -4.02 0.00 0.24 -0.05 -4.56 118.33 113.27 1khq n VAL 161 Ca -0.17 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 61.97 1khq n VAL 161 Cb 0.52 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.74 1khq n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1khq s ALA 162 N -2.00 0.36 -0.20 2.33 0.00 -1.13 -1.77 121.76 119.36 1khq s ALA 162 Ca 0.00 0.01 -0.22 0.00 0.00 0.00 0.00 51.96 51.75 1khq s ALA 162 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1khq s ALA 162 CO 0.00 -0.00 0.68 0.00 0.00 0.00 0.00 175.76 176.44 1khq s ALA 163 N 0.56 3.54 0.00 0.00 0.00 0.54 -0.61 121.76 125.79 1khq s ALA 163 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1khq s ALA 163 Cb -0.09 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1khq s ALA 163 CO -0.01 -0.60 0.78 1.33 0.00 0.00 0.00 175.76 177.26 1khq n VAL 164 N 4.75 0.59 -1.04 0.00 0.24 0.06 -1.92 118.33 120.99 1khq n VAL 164 Ca 0.00 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 1khq n VAL 164 Cb 0.49 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.60 1khq n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1khq n GLY 165 N -0.29 -1.38 3.67 7.63 0.00 -1.15 -1.00 105.19 112.66 1khq n GLY 165 Ca 0.00 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 1khq n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1khq s TYR 166 N -2.33 -0.27 0.01 1.61 -0.85 -0.34 -0.91 117.35 114.28 1khq s TYR 166 Ca 0.00 -0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.52 1khq s TYR 166 Cb 0.00 0.63 -0.00 0.00 0.38 0.00 0.00 41.96 42.97 1khq s TYR 166 CO 0.00 -0.90 0.01 0.41 -1.52 0.00 0.00 175.55 173.55 1khq n GLY 167 N -0.41 3.73 0.38 5.49 0.00 -0.24 -1.41 105.19 112.74 1khq n GLY 167 Ca -0.08 -1.59 0.15 0.00 0.00 0.00 0.00 46.02 44.50 1khq n GLY 167 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1khq h PRO 168 N 0.00 0.54 0.00 1.61 0.11 -1.98 -3.13 132.00 129.15 1khq h PRO 168 Ca -0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1khq h PRO 168 Cb 0.04 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1khq h PRO 168 CO 0.01 0.36 -0.19 0.27 -0.21 0.00 0.00 178.00 178.24 1khq n ASN 169 N -4.55 1.41 -3.64 -2.05 0.23 -1.26 -4.91 115.26 100.49 1khq n ASN 169 Ca 0.18 -2.60 -0.10 0.00 -0.53 0.00 0.00 54.58 51.53 1khq n ASN 169 Cb 0.57 -0.32 -0.03 0.00 -2.08 0.00 0.00 39.78 37.92 1khq n ASN 169 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1khq s TYR 170 N -1.68 -0.25 -0.08 -2.53 -0.85 -1.18 -1.97 117.35 108.81 1khq s TYR 170 Ca 0.18 -0.06 0.03 0.00 -0.52 0.00 0.00 57.07 56.70 1khq s TYR 170 Cb 0.16 0.44 -0.02 0.00 0.38 0.00 0.00 41.96 42.91 1khq s TYR 170 CO 0.02 -0.88 -0.15 0.42 -1.52 0.00 0.00 175.55 173.44 1khq s ILE 171 N -3.83 2.98 -0.24 -3.49 1.01 0.09 -1.07 121.20 116.64 1khq s ILE 171 Ca 0.06 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 59.83 1khq s ILE 171 Cb -0.01 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1khq s ILE 171 CO -0.07 0.57 0.35 -0.22 0.00 0.00 0.00 174.94 175.57 1khq s LEU 172 N -0.33 4.09 -0.07 2.97 2.96 -0.08 -1.05 118.68 127.16 1khq s LEU 172 Ca 0.03 0.35 0.05 0.00 -0.22 0.00 0.00 54.13 54.33 1khq s LEU 172 Cb -0.13 -2.41 -0.00 0.00 0.50 0.00 0.00 46.19 44.15 1khq s LEU 172 CO 0.02 -0.11 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.08 1khq s ILE 173 N 1.65 1.94 -0.30 6.68 1.01 0.01 -0.76 121.20 131.43 1khq s ILE 173 Ca 0.15 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.63 1khq s ILE 173 Cb -0.15 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1khq s ILE 173 CO 0.08 0.54 0.60 -0.75 0.00 0.00 0.00 174.94 175.42 1khq s LYS 174 N 0.11 3.93 0.42 2.79 2.20 0.22 -1.26 119.74 128.15 1khq s LYS 174 Ca -0.10 0.29 0.08 0.00 -0.36 0.00 0.00 55.97 55.88 1khq s LYS 174 Cb -0.15 -3.71 0.01 0.00 -1.51 0.00 0.00 37.83 32.46 1khq s LYS 174 CO 0.06 -0.53 0.56 1.21 -0.36 0.00 0.00 175.35 176.29 1khq s ASN 175 N 1.62 5.60 -0.33 1.43 2.47 -0.95 -2.82 114.94 121.95 1khq s ASN 175 Ca 0.24 -0.46 0.06 0.00 0.42 0.00 0.00 52.86 53.13 1khq s ASN 175 Cb -0.15 -0.62 0.45 0.00 -1.45 0.00 0.00 41.25 39.47 1khq s ASN 175 CO 0.11 -0.77 1.17 -1.54 -3.72 0.00 0.00 177.10 172.35 1khq n SER 176 N -1.84 4.89 -0.56 -4.21 3.41 -1.26 -4.56 113.62 109.48 1khq n SER 176 Ca 0.08 -3.74 0.08 0.00 -0.26 0.00 0.00 58.87 55.03 1khq n SER 176 Cb 0.59 -0.37 0.21 0.00 -0.26 0.00 0.00 64.21 64.37 1khq n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1khq n TRP 177 N -0.65 0.53 0.00 7.33 8.01 -1.21 -0.76 117.44 130.69 1khq n TRP 177 Ca 0.43 -1.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.62 1khq n TRP 177 Cb 0.89 -0.26 0.00 0.00 -2.01 0.00 0.00 31.31 29.93 1khq n TRP 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1khq n GLY 178 N -0.96 -0.47 0.00 6.99 0.00 -0.56 -4.49 105.19 105.70 1khq n GLY 178 Ca 0.20 -1.75 0.14 0.00 0.00 0.00 0.00 46.02 44.61 1khq n GLY 178 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1khq n THR 179 N -0.49 0.00 1.15 2.61 -2.24 -1.26 -3.48 114.28 110.57 1khq n THR 179 Ca 0.00 -0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1khq n THR 179 Cb 0.00 -0.36 0.45 0.00 -2.10 0.00 0.00 70.33 68.33 1khq n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1khq n GLY 180 N 1.50 -1.13 3.83 3.38 0.00 -1.26 -3.38 105.19 108.13 1khq n GLY 180 Ca 0.07 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1khq n GLY 180 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1khq s TRP 181 N -2.78 3.66 0.00 1.61 -0.00 -1.23 -4.92 118.94 115.28 1khq s TRP 181 Ca 0.19 0.81 0.00 0.00 -0.00 0.00 0.00 56.10 57.10 1khq s TRP 181 Cb 0.19 -2.20 0.00 0.00 -0.00 0.00 0.00 33.47 31.46 1khq s TRP 181 CO 0.57 0.61 0.00 0.41 -0.00 0.00 0.00 176.95 178.55 1khq n GLY 182 N 2.08 1.89 3.45 5.86 0.00 -1.07 -0.26 105.19 117.15 1khq n GLY 182 Ca -0.15 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 1khq n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1khq s GLU 183 N 0.00 4.09 -1.36 1.61 2.02 0.23 -4.46 118.70 120.83 1khq s GLU 183 Ca 0.00 -2.65 -0.06 0.00 0.02 0.00 0.00 54.97 52.28 1khq s GLU 183 Cb 0.00 -4.99 0.04 0.00 0.10 0.00 0.00 34.13 29.28 1khq s GLU 183 CO 0.00 -1.69 0.45 0.09 0.02 0.00 0.00 175.26 174.13 1khq n ASN 184 N 5.26 -4.61 0.00 -0.19 3.02 -1.25 -1.76 115.26 115.73 1khq n ASN 184 Ca 0.34 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1khq n ASN 184 Cb 0.42 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 1khq n ASN 184 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1khq n GLY 185 N -1.24 0.39 3.77 7.41 0.00 0.64 -4.70 105.19 111.47 1khq n GLY 185 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 1khq n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1khq s TYR 186 N -2.00 2.95 -0.01 1.61 1.51 -0.72 -2.24 117.35 118.45 1khq s TYR 186 Ca 0.00 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 55.90 1khq s TYR 186 Cb 0.00 -1.41 -0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1khq s TYR 186 CO 0.00 0.50 -0.06 -1.50 -1.11 0.00 0.00 175.55 173.38 1khq s ILE 187 N -2.22 0.44 -0.35 2.71 2.07 -0.39 -0.60 121.20 122.86 1khq s ILE 187 Ca 0.34 -0.23 -0.13 0.00 -1.41 0.00 0.00 60.65 59.22 1khq s ILE 187 Cb -0.07 -0.38 -0.01 0.00 0.13 0.00 0.00 42.46 42.13 1khq s ILE 187 CO 0.24 0.13 0.24 -0.13 -1.91 0.00 0.00 174.94 173.50 1khq s ARG 188 N -0.08 3.40 -0.13 3.50 0.52 -1.26 -0.81 118.95 124.10 1khq s ARG 188 Ca 0.01 -0.71 -0.05 0.00 -0.52 0.00 0.00 55.73 54.47 1khq s ARG 188 Cb -0.03 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.60 1khq s ARG 188 CO -0.00 -0.48 0.04 0.42 0.02 0.00 0.00 175.30 175.29 1khq s ILE 189 N 1.70 4.61 0.36 1.52 1.01 -0.21 -0.66 121.20 129.54 1khq s ILE 189 Ca 0.06 -0.12 -0.28 0.00 0.00 0.00 0.00 60.65 60.31 1khq s ILE 189 Cb -0.18 -3.00 -0.12 0.00 0.01 0.00 0.00 42.46 39.18 1khq s ILE 189 CO 0.10 0.55 1.41 1.17 0.00 0.00 0.00 174.94 178.18 1khq n LYS 190 N 2.66 2.47 -4.63 2.79 4.81 -0.49 -0.73 118.16 125.04 1khq n LYS 190 Ca -0.18 0.86 -0.28 0.00 -0.87 0.00 0.00 58.31 57.84 1khq n LYS 190 Cb 0.53 -2.54 -0.10 0.00 0.02 0.00 0.00 35.03 32.95 1khq n LYS 190 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1khq s ARG 191 N -1.98 1.98 -0.09 1.64 1.70 -0.83 -4.57 118.95 116.80 1khq s ARG 191 Ca 0.54 -2.17 0.00 0.00 -0.47 0.00 0.00 55.73 53.63 1khq s ARG 191 Cb -0.51 -1.42 0.00 0.00 -0.57 0.00 0.00 34.95 32.45 1khq s ARG 191 CO 0.63 -0.19 0.00 0.41 -1.08 0.00 0.00 175.30 175.07 1khq n GLY 192 N -1.01 0.43 0.05 3.88 0.00 -1.26 -4.71 105.19 102.57 1khq n GLY 192 Ca -0.09 -1.02 0.12 0.00 0.00 0.00 0.00 46.02 45.03 1khq n GLY 192 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1khq n THR 193 N -3.13 0.00 -1.00 2.61 -2.24 -1.26 -4.95 114.28 104.31 1khq n THR 193 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1khq n THR 193 Cb 0.10 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1khq n THR 193 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1khq n GLY 194 N 1.47 0.76 3.60 3.38 0.00 -1.26 -5.00 105.19 108.13 1khq n GLY 194 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1khq n GLY 194 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1khq s ASN 195 N -2.52 6.65 0.58 1.61 3.84 -1.26 -4.94 114.94 118.90 1khq s ASN 195 Ca 0.00 0.52 0.37 0.00 0.21 0.00 0.00 52.86 53.96 1khq s ASN 195 Cb 0.00 -2.46 1.72 0.00 -0.55 0.00 0.00 41.25 39.96 1khq s ASN 195 CO 0.00 -0.88 2.10 0.77 -2.79 0.00 0.00 177.10 176.30 1khq h SER 196 N 8.56 0.00 1.80 -4.21 4.64 -1.95 -0.78 113.55 121.61 1khq h SER 196 Ca -0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1khq h SER 196 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1khq h SER 196 CO 0.99 0.00 -0.05 1.88 -0.87 0.00 0.00 176.83 178.78 1khq h TYR 197 N 0.00 0.00 0.00 4.77 0.05 -1.92 -3.39 116.97 116.49 1khq h TYR 197 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1khq h TYR 197 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 1khq h TYR 197 CO 0.00 0.05 0.00 0.41 -1.05 0.00 0.00 178.16 177.57 1khq n GLY 198 N 0.94 -1.11 3.73 3.88 0.00 -0.30 -1.13 105.19 111.20 1khq n GLY 198 Ca 0.03 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1khq n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1khq s VAL 199 N -3.06 2.41 -1.87 1.61 1.01 -1.26 -1.37 120.40 117.87 1khq s VAL 199 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1khq s VAL 199 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1khq s VAL 199 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.13 1khq n GLY 201 N -0.60 0.59 0.37 0.00 0.00 -0.47 -0.78 105.19 104.29 1khq n GLY 201 Ca -0.20 -0.78 0.19 0.00 0.00 0.00 0.00 46.02 45.22 1khq n GLY 201 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1khq h LEU 202 N 0.00 0.00 -3.26 0.99 5.85 -1.15 -1.76 115.31 115.98 1khq h LEU 202 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1khq h LEU 202 Cb 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1khq h LEU 202 CO 0.08 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.96 1khq n TYR 203 N -3.55 1.67 -0.07 1.25 4.01 -0.28 -4.48 117.16 115.71 1khq n TYR 203 Ca 0.04 -0.64 -0.14 0.00 -0.16 0.00 0.00 57.90 57.00 1khq n TYR 203 Cb 0.51 -0.32 -0.06 0.00 -0.31 0.00 0.00 39.34 39.16 1khq n TYR 203 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1khq h THR 204 N 4.12 1.32 -1.04 -0.72 2.02 -1.45 -1.22 112.91 115.95 1khq h THR 204 Ca 0.00 -1.51 0.02 0.00 0.77 0.00 0.00 66.41 65.69 1khq h THR 204 Cb 1.61 1.78 -0.21 0.00 -1.74 0.00 0.00 68.15 69.58 1khq h THR 204 CO 0.31 0.47 -0.39 -0.55 0.37 0.00 0.00 175.52 175.73 1khq s SER 205 N -6.50 -1.52 -0.06 4.18 0.15 -1.26 -4.76 113.70 103.94 1khq s SER 205 Ca -0.13 0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.72 1khq s SER 205 Cb 0.07 1.98 0.00 0.00 -1.71 0.00 0.00 66.02 66.37 1khq s SER 205 CO 0.81 -0.30 -0.15 -0.44 1.20 0.00 0.00 173.24 174.36 1khq s SER 206 N 2.81 2.04 0.07 5.45 0.01 -1.26 -3.65 113.70 119.18 1khq s SER 206 Ca 0.10 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 57.05 1khq s SER 206 Cb -0.10 -0.75 -0.03 0.00 0.21 0.00 0.00 66.02 65.35 1khq s SER 206 CO -0.26 0.10 -0.09 -0.36 0.41 0.00 0.00 173.24 173.04 1khq s PHE 207 N 0.31 0.88 0.01 2.43 0.40 -0.39 -0.45 117.98 121.18 1khq s PHE 207 Ca -0.09 -0.62 -0.03 0.00 -0.60 0.00 0.00 56.93 55.59 1khq s PHE 207 Cb -0.14 -0.50 -0.01 0.00 0.51 0.00 0.00 43.02 42.88 1khq s PHE 207 CO 0.03 -0.06 0.04 1.52 0.70 0.00 0.00 175.22 177.46 1khq s TYR 208 N -2.10 0.15 0.39 0.36 -0.85 -0.57 -0.91 117.35 113.81 1khq s TYR 208 Ca -0.01 -0.32 -0.23 0.00 -0.52 0.00 0.00 57.07 55.99 1khq s TYR 208 Cb -0.05 -0.12 -0.10 0.00 0.38 0.00 0.00 41.96 42.07 1khq s TYR 208 CO -0.01 -0.22 0.98 -1.25 -1.52 0.00 0.00 175.55 173.54 1khq s PRO 209 N -1.31 4.30 -0.13 -3.49 0.04 -1.26 -1.22 135.00 131.92 1khq s PRO 209 Ca -0.14 1.31 -0.04 0.00 0.04 0.00 0.00 61.00 62.17 1khq s PRO 209 Cb -0.08 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 1khq s PRO 209 CO 0.00 0.01 0.03 0.08 0.04 0.00 0.00 177.00 177.16 1khq s VAL 210 N -1.83 4.51 -0.11 -0.36 1.01 -0.53 -4.89 120.40 118.19 1khq s VAL 210 Ca 0.57 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 1khq s VAL 210 Cb -0.16 -2.95 0.06 0.00 0.00 0.00 0.00 36.38 33.32 1khq s VAL 210 CO 0.21 0.55 0.23 -0.75 0.00 0.00 0.00 175.10 175.34 1khq s LYS 211 N -0.37 0.11 0.00 2.72 2.47 -1.26 -0.64 119.74 122.76 1khq s LYS 211 Ca 0.08 0.68 0.28 0.00 -1.56 0.00 0.00 55.97 55.45 1khq s LYS 211 Cb -0.12 -0.12 1.14 0.00 -1.46 0.00 0.00 37.83 37.27 1khq s LYS 211 CO 0.02 -0.29 1.79 0.09 0.16 0.00 0.00 175.35 177.12