#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k4l s ASP 13 N 0.00 5.13 0.29 4.37 1.01 0.14 -5.01 116.67 122.59 1k4l s ASP 13 Ca 0.00 1.57 -0.28 0.00 0.71 0.00 0.00 52.55 54.55 1k4l s ASP 13 Cb 0.00 -2.40 -0.09 0.00 1.01 0.00 0.00 42.92 41.43 1k4l s ASP 13 CO 0.00 -1.60 0.94 0.00 0.21 0.00 0.00 175.17 174.73 1k4l s ALA 14 N -3.06 3.27 0.26 5.23 0.00 -1.26 -4.76 121.76 121.44 1k4l s ALA 14 Ca 0.59 0.57 -0.02 0.00 0.00 0.00 0.00 51.96 53.10 1k4l s ALA 14 Cb -0.14 -3.20 0.54 0.00 0.00 0.00 0.00 23.12 20.32 1k4l s ALA 14 CO 0.55 0.18 1.71 0.82 0.00 0.00 0.00 175.76 179.02 1k4l h ILE 15 N 2.85 0.56 -0.90 0.00 1.08 -1.95 0.46 117.51 119.61 1k4l h ILE 15 Ca -0.46 -0.13 0.08 0.00 -0.39 0.00 0.00 64.86 63.96 1k4l h ILE 15 Cb 1.20 0.14 -0.06 0.00 -3.07 0.00 0.00 36.82 35.03 1k4l h ILE 15 CO 0.66 0.07 0.58 -0.65 -0.69 0.00 0.00 178.15 178.13 1k4l h PRO 16 N 0.38 0.94 0.00 2.37 0.11 -1.99 0.61 132.00 134.42 1k4l h PRO 16 Ca 0.46 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.39 1k4l h PRO 16 Cb 0.78 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 1k4l h PRO 16 CO -0.47 0.62 -0.60 -0.44 -0.21 0.00 0.00 178.00 176.90 1k4l h ASP 17 N 0.97 0.00 -0.32 -2.05 3.32 -1.35 -2.04 116.42 114.95 1k4l h ASP 17 Ca 0.40 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.36 1k4l h ASP 17 Cb 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1k4l h ASP 17 CO -0.16 0.60 -0.14 0.58 -1.72 0.00 0.00 179.24 178.39 1k4l h VAL 18 N 0.00 1.29 -0.65 -1.35 2.07 0.65 -2.43 116.25 115.83 1k4l h VAL 18 Ca -0.01 -1.25 0.08 0.00 0.82 0.00 0.00 66.70 66.35 1k4l h VAL 18 Cb 1.17 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 32.29 1k4l h VAL 18 CO 0.08 0.40 0.31 0.40 0.02 0.00 0.00 177.57 178.78 1k4l h ILE 19 N 0.44 0.86 -0.45 4.57 2.04 0.27 -0.36 117.51 124.86 1k4l h ILE 19 Ca 0.07 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1k4l h ILE 19 Cb 0.67 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1k4l h ILE 19 CO 0.05 0.10 0.29 -0.61 0.00 0.00 0.00 178.15 177.98 1k4l h GLN 20 N 0.54 0.58 -0.64 2.37 5.75 -1.30 0.23 115.11 122.64 1k4l h GLN 20 Ca 0.31 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.77 1k4l h GLN 20 Cb 0.32 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 1k4l h GLN 20 CO -0.25 0.38 0.35 0.00 -2.65 0.00 0.00 178.83 176.66 1k4l h ALA 21 N 1.18 0.82 -0.58 3.38 0.00 -0.89 -0.79 119.26 122.38 1k4l h ALA 21 Ca 0.17 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1k4l h ALA 21 Cb -0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1k4l h ALA 21 CO -0.05 0.33 0.37 0.35 0.00 0.00 0.00 179.25 180.25 1k4l h PHE 22 N 0.87 0.70 0.00 0.00 3.04 -0.52 -0.25 116.94 120.77 1k4l h PHE 22 Ca 0.22 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.15 1k4l h PHE 22 Cb 0.04 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.31 1k4l h PHE 22 CO -0.01 0.42 -0.20 -0.22 -2.02 0.00 0.00 178.31 176.28 1k4l h LYS 23 N 0.74 0.00 -0.21 1.11 3.64 -0.22 -0.44 116.57 121.19 1k4l h LYS 23 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1k4l h LYS 23 Cb -0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1k4l h LYS 23 CO -0.07 0.20 0.00 0.09 -2.27 0.00 0.00 179.45 177.39 1k4l n ASN 24 N -4.02 0.53 -0.12 4.20 5.03 -0.16 -4.86 115.26 115.85 1k4l n ASN 24 Ca -0.02 -2.01 -0.02 0.00 0.87 0.00 0.00 54.58 53.40 1k4l n ASN 24 Cb 0.27 -0.12 -0.01 0.00 -1.02 0.00 0.00 39.78 38.91 1k4l n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k4l n GLY 25 N 0.52 0.52 3.92 7.41 0.00 -0.18 -5.03 105.19 112.36 1k4l n GLY 25 Ca 0.02 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 1k4l n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k4l s GLU 26 N -1.80 3.55 0.52 1.61 2.02 -0.85 -4.85 118.70 118.89 1k4l s GLU 26 Ca 0.00 -0.21 -0.18 0.00 0.02 0.00 0.00 54.97 54.60 1k4l s GLU 26 Cb 0.00 -2.71 -0.07 0.00 0.10 0.00 0.00 34.13 31.45 1k4l s GLU 26 CO 0.00 0.24 1.03 -0.06 0.02 0.00 0.00 175.26 176.49 1k4l s PHE 27 N -2.10 3.10 0.12 1.61 0.40 -1.26 -4.42 117.98 115.43 1k4l s PHE 27 Ca 0.41 1.54 0.06 0.00 -0.60 0.00 0.00 56.93 58.34 1k4l s PHE 27 Cb -0.10 -2.98 -0.04 0.00 0.51 0.00 0.00 43.02 40.41 1k4l s PHE 27 CO 0.32 -0.77 -0.14 0.14 0.70 0.00 0.00 175.22 175.47 1k4l s VAL 28 N -2.25 1.35 -0.24 -0.44 -7.23 -0.05 -4.39 120.40 107.15 1k4l s VAL 28 Ca 0.64 -1.73 -0.08 0.00 -1.81 0.00 0.00 61.98 59.01 1k4l s VAL 28 Cb -0.14 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 1k4l s VAL 28 CO 0.26 -0.42 0.08 -0.69 -0.31 0.00 0.00 175.10 174.02 1k4l s VAL 29 N -2.16 4.48 -0.11 1.32 1.01 0.18 -0.75 120.40 124.37 1k4l s VAL 29 Ca 0.09 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1k4l s VAL 29 Cb -0.05 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1k4l s VAL 29 CO 0.03 0.35 -0.17 -0.69 0.00 0.00 0.00 175.10 174.63 1k4l s VAL 30 N 1.39 1.61 -0.19 2.92 1.01 0.54 -0.81 120.40 126.87 1k4l s VAL 30 Ca 0.05 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 1k4l s VAL 30 Cb -0.15 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1k4l s VAL 30 CO 0.04 0.46 0.11 -0.76 0.00 0.00 0.00 175.10 174.95 1k4l s LEU 31 N 0.89 4.09 0.00 3.92 1.02 -0.04 -0.75 118.68 127.81 1k4l s LEU 31 Ca -0.08 0.20 -0.08 0.00 0.02 0.00 0.00 54.13 54.19 1k4l s LEU 31 Cb -0.15 -2.05 0.17 0.00 0.02 0.00 0.00 46.19 44.18 1k4l s LEU 31 CO -0.01 0.19 1.09 -0.90 0.02 0.00 0.00 176.35 176.75 1k4l n ASP 32 N 3.42 0.72 -4.78 2.29 5.75 -0.55 -1.01 116.55 122.39 1k4l n ASP 32 Ca -0.16 -1.78 -0.36 0.00 -0.01 0.00 0.00 54.79 52.47 1k4l n ASP 32 Cb 0.52 -0.78 -0.01 0.00 -1.03 0.00 0.00 41.12 39.82 1k4l n ASP 32 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k4l s ASP 33 N -5.20 6.18 0.48 -1.12 2.15 -1.26 -4.52 116.67 113.38 1k4l s ASP 33 Ca 0.67 2.18 0.16 0.00 0.43 0.00 0.00 52.55 55.99 1k4l s ASP 33 Cb -0.03 -2.59 1.18 0.00 -0.30 0.00 0.00 42.92 41.18 1k4l s ASP 33 CO 0.46 -0.90 2.06 -0.65 -0.17 0.00 0.00 175.17 175.97 1k4l h PRO 34 N 1.86 0.18 -0.00 4.34 0.11 -1.95 0.39 132.00 136.93 1k4l h PRO 34 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1k4l h PRO 34 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1k4l h PRO 34 CO 0.60 0.12 -0.10 -1.13 -0.21 0.00 0.00 178.00 177.27 1k4l n SER 35 N -4.48 0.25 0.00 -2.05 3.41 -1.26 -4.10 113.62 105.39 1k4l n SER 35 Ca 0.04 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1k4l n SER 35 Cb 0.26 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1k4l n SER 35 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1k4l n ARG 36 N -1.22 0.00 0.13 4.33 0.63 0.13 -4.90 116.66 115.76 1k4l n ARG 36 Ca 0.12 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.11 1k4l n ARG 36 Cb 0.29 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.23 1k4l n ARG 36 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1k4l h GLU 37 N 0.00 0.00 -6.10 -0.14 5.08 -1.81 -3.48 114.58 108.14 1k4l h GLU 37 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 1k4l h GLU 37 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1k4l h GLU 37 CO 0.00 0.21 -0.73 -1.71 -1.00 0.00 0.00 179.01 175.78 1k4l n ASN 38 N -3.00 -4.94 -4.46 1.42 4.05 -0.78 -4.97 115.26 102.57 1k4l n ASN 38 Ca -0.00 -0.70 -0.26 0.00 0.45 0.00 0.00 54.58 54.06 1k4l n ASN 38 Cb 0.66 -3.95 -0.11 0.00 1.23 0.00 0.00 39.78 37.61 1k4l n ASN 38 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1k4l s GLU 39 N -6.51 1.66 -0.13 1.20 2.02 -1.26 -4.76 118.70 110.93 1k4l s GLU 39 Ca 0.62 -1.53 -0.01 0.00 0.02 0.00 0.00 54.97 54.08 1k4l s GLU 39 Cb -0.31 -1.89 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 1k4l s GLU 39 CO 0.77 0.39 -0.09 0.00 0.02 0.00 0.00 175.26 176.35 1k4l s ALA 40 N -1.86 2.78 0.21 5.21 0.00 -1.26 -1.48 121.76 125.37 1k4l s ALA 40 Ca 0.24 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.41 1k4l s ALA 40 Cb -0.07 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 1k4l s ALA 40 CO 0.12 0.28 -0.02 -0.51 0.00 0.00 0.00 175.76 175.62 1k4l s ASP 41 N 0.22 4.57 -0.16 0.00 -0.00 0.07 -0.03 116.67 121.33 1k4l s ASP 41 Ca -0.06 -0.53 -0.20 0.00 -0.00 0.00 0.00 52.55 51.76 1k4l s ASP 41 Cb -0.15 -0.88 -0.03 0.00 -0.00 0.00 0.00 42.92 41.86 1k4l s ASP 41 CO 0.04 0.06 0.60 -0.76 -0.00 0.00 0.00 175.17 175.11 1k4l s LEU 42 N -3.19 4.20 -0.06 1.23 1.43 -0.73 -0.34 118.68 121.22 1k4l s LEU 42 Ca 0.28 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.27 1k4l s LEU 42 Cb -0.08 -2.86 0.01 0.00 0.03 0.00 0.00 46.19 43.30 1k4l s LEU 42 CO 0.18 -0.18 -0.11 -0.63 0.23 0.00 0.00 176.35 175.84 1k4l s ILE 43 N 1.44 1.06 0.05 -0.59 1.01 0.07 -2.58 121.20 121.65 1k4l s ILE 43 Ca 0.29 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 1k4l s ILE 43 Cb -0.16 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 1k4l s ILE 43 CO 0.11 0.34 0.01 -0.51 0.00 0.00 0.00 174.94 174.89 1k4l s ILE 44 N 0.65 0.18 0.18 2.92 2.07 -0.60 -0.87 121.20 125.74 1k4l s ILE 44 Ca -0.13 -1.52 -0.30 0.00 -1.41 0.00 0.00 60.65 57.28 1k4l s ILE 44 Cb -0.15 -1.23 -0.08 0.00 0.13 0.00 0.00 42.46 41.13 1k4l s ILE 44 CO 0.03 -0.84 1.24 0.00 -1.91 0.00 0.00 174.94 173.46 1k4l s ALA 45 N -3.37 3.47 0.16 1.50 0.00 -1.26 -0.44 121.76 121.82 1k4l s ALA 45 Ca 0.02 1.01 0.15 0.00 0.00 0.00 0.00 51.96 53.13 1k4l s ALA 45 Cb 0.04 -3.44 0.45 0.00 0.00 0.00 0.00 23.12 20.17 1k4l s ALA 45 CO -0.08 -0.44 1.63 0.00 0.00 0.00 0.00 175.76 176.87 1k4l h ALA 46 N 5.42 0.91 -0.70 0.00 0.00 -1.23 -3.33 119.26 120.33 1k4l h ALA 46 Ca -0.44 -0.46 0.18 0.00 0.00 0.00 0.00 54.91 54.18 1k4l h ALA 46 Cb 1.21 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1k4l h ALA 46 CO 0.76 0.63 0.49 1.05 0.00 0.00 0.00 179.25 182.18 1k4l h GLU 47 N 0.00 0.17 0.00 0.00 4.11 -1.81 -3.03 114.58 114.02 1k4l h GLU 47 Ca -0.01 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 1k4l h GLU 47 Cb 1.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1k4l h GLU 47 CO 0.07 0.11 -0.21 0.45 0.07 0.00 0.00 179.01 179.50 1k4l n SER 48 N -4.40 1.47 -4.68 3.06 2.88 -1.26 -4.74 113.62 105.95 1k4l n SER 48 Ca 0.14 -2.70 -0.46 0.00 -1.33 0.00 0.00 58.87 54.52 1k4l n SER 48 Cb 0.65 -0.35 -0.04 0.00 -0.75 0.00 0.00 64.21 63.73 1k4l n SER 48 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1k4l n VAL 49 N -0.89 0.24 -2.57 2.46 3.14 -1.15 -4.93 118.33 114.64 1k4l n VAL 49 Ca 0.10 -0.04 -0.24 0.00 -2.96 0.00 0.00 64.34 61.20 1k4l n VAL 49 Cb 0.67 -1.78 0.04 0.00 -1.06 0.00 0.00 33.84 31.70 1k4l n VAL 49 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1k4l s THR 50 N 2.19 3.20 0.14 1.55 -4.23 -1.26 -4.79 115.64 112.44 1k4l s THR 50 Ca 0.83 -0.36 -0.17 0.00 -1.18 0.00 0.00 61.69 60.81 1k4l s THR 50 Cb -0.63 -3.25 -0.01 0.00 1.34 0.00 0.00 72.50 69.95 1k4l s THR 50 CO 0.41 -0.22 1.77 0.74 -0.54 0.00 0.00 174.62 176.78 1k4l h THR 51 N -0.05 0.97 -0.17 3.99 2.02 -1.91 -0.19 112.91 117.57 1k4l h THR 51 Ca -0.44 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 66.57 1k4l h THR 51 Cb 1.28 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1k4l h THR 51 CO 0.57 0.05 -0.19 -0.33 0.37 0.00 0.00 175.52 176.00 1k4l h GLU 52 N 0.30 0.29 -0.28 6.66 3.07 -1.94 -0.91 114.58 121.76 1k4l h GLU 52 Ca 0.13 -0.08 -0.18 0.00 -0.50 0.00 0.00 59.36 58.73 1k4l h GLU 52 Cb 0.06 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1k4l h GLU 52 CO -0.10 0.47 -0.52 1.96 -1.40 0.00 0.00 179.01 179.42 1k4l h GLN 53 N 0.27 0.81 -0.73 2.33 4.20 -1.84 -2.29 115.11 117.85 1k4l h GLN 53 Ca 0.05 -0.50 -0.01 0.00 0.06 0.00 0.00 58.65 58.25 1k4l h GLN 53 Cb 0.49 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1k4l h GLN 53 CO 0.03 1.13 0.40 1.98 -0.67 0.00 0.00 178.83 181.70 1k4l h MET 54 N 0.63 1.02 -0.70 1.46 4.05 -0.43 -0.01 114.93 120.95 1k4l h MET 54 Ca 0.02 -0.12 0.07 0.00 -0.28 0.00 0.00 59.70 59.40 1k4l h MET 54 Cb 1.11 -0.20 -0.06 0.00 -0.80 0.00 0.00 31.60 31.65 1k4l h MET 54 CO 0.11 0.76 0.38 0.00 0.23 0.00 0.00 176.91 178.39 1k4l h ALA 55 N 1.20 0.96 -0.39 0.39 0.00 -1.09 0.42 119.26 120.74 1k4l h ALA 55 Ca 0.26 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1k4l h ALA 55 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1k4l h ALA 55 CO -0.04 0.02 0.14 0.35 0.00 0.00 0.00 179.25 179.72 1k4l h PHE 56 N 0.67 0.62 -0.53 0.00 3.57 -0.93 0.62 116.94 120.96 1k4l h PHE 56 Ca 0.33 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 1k4l h PHE 56 Cb 0.27 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1k4l h PHE 56 CO -0.09 0.56 0.31 1.98 -2.23 0.00 0.00 178.31 178.85 1k4l h MET 57 N 0.49 0.72 -0.54 1.11 4.05 0.51 -1.20 114.93 120.07 1k4l h MET 57 Ca 0.13 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.46 1k4l h MET 57 Cb 0.22 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 1k4l h MET 57 CO -0.01 0.53 0.27 0.28 0.23 0.00 0.00 176.91 178.21 1k4l h VAL 58 N 0.71 1.20 -0.62 -5.77 2.07 -0.05 -1.33 116.25 112.45 1k4l h VAL 58 Ca 0.19 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1k4l h VAL 58 Cb 0.00 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1k4l h VAL 58 CO -0.03 0.22 0.38 -0.09 0.02 0.00 0.00 177.57 178.07 1k4l h ARG 59 N 0.73 0.84 -0.01 1.57 9.65 -0.45 -3.17 114.38 123.53 1k4l h ARG 59 Ca 0.19 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1k4l h ARG 59 Cb 0.11 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 1k4l h ARG 59 CO -0.02 0.59 -0.27 0.72 2.80 0.00 0.00 179.97 183.79 1k4l n HIS 60 N -4.61 0.00 -3.68 2.20 8.25 -0.49 -4.98 115.22 111.90 1k4l n HIS 60 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1k4l n HIS 60 Cb 0.05 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1k4l n HIS 60 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1k4l n SER 61 N -0.14 1.45 0.29 0.41 3.41 -0.52 -3.41 113.62 115.12 1k4l n SER 61 Ca 0.12 -0.96 0.17 0.00 -0.26 0.00 0.00 58.87 57.95 1k4l n SER 61 Cb 0.41 0.00 0.86 0.00 -0.26 0.00 0.00 64.21 65.22 1k4l n SER 61 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1k4l h SER 62 N 0.00 0.00 0.00 4.04 4.64 -1.37 -3.43 113.55 117.43 1k4l h SER 62 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k4l h SER 62 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1k4l h SER 62 CO 0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1k4l n GLY 63 N -0.60 1.35 3.37 -0.77 0.00 -1.26 -4.96 105.19 102.32 1k4l n GLY 63 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 1k4l n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k4l s LEU 64 N 0.00 5.72 -0.35 0.99 2.96 -1.26 -4.99 118.68 121.75 1k4l s LEU 64 Ca 0.00 -1.87 -0.24 0.00 -0.22 0.00 0.00 54.13 51.80 1k4l s LEU 64 Cb 0.00 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.41 1k4l s LEU 64 CO 0.00 -0.96 0.84 -0.63 -1.32 0.00 0.00 176.35 174.28 1k4l s ILE 65 N 2.01 4.69 0.33 6.68 -1.09 -1.26 -4.59 121.20 127.96 1k4l s ILE 65 Ca 0.16 1.08 0.08 0.00 -2.23 0.00 0.00 60.65 59.74 1k4l s ILE 65 Cb -0.18 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.42 1k4l s ILE 65 CO -0.00 -0.43 0.20 0.00 -1.23 0.00 0.00 174.94 173.48 1k4l s ALA 67 N -2.35 1.18 0.29 0.00 0.00 -0.23 -0.80 121.76 119.83 1k4l s ALA 67 Ca 0.38 -2.06 -0.30 0.00 0.00 0.00 0.00 51.96 49.98 1k4l s ALA 67 Cb -0.04 -1.64 -0.12 0.00 0.00 0.00 0.00 23.12 21.31 1k4l s ALA 67 CO 0.24 -2.08 1.54 -2.30 0.00 0.00 0.00 175.76 173.16 1k4l n PRO 68 N 3.78 2.54 -3.85 0.00 -0.02 -1.14 -1.49 135.00 134.81 1k4l n PRO 68 Ca 0.14 0.90 -0.09 0.00 -2.02 0.00 0.00 63.50 62.43 1k4l n PRO 68 Cb 0.38 -2.65 -0.04 0.00 -0.02 0.00 0.00 33.50 31.17 1k4l n PRO 68 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1k4l s LEU 69 N -0.42 0.25 0.62 2.45 2.34 0.23 -0.96 118.68 123.19 1k4l s LEU 69 Ca 0.64 -0.67 -0.09 0.00 0.06 0.00 0.00 54.13 54.07 1k4l s LEU 69 Cb -0.53 1.95 -0.01 0.00 -0.56 0.00 0.00 46.19 47.04 1k4l s LEU 69 CO 0.50 -1.08 0.99 0.42 -1.06 0.00 0.00 176.35 176.12 1k4l s THR 70 N -3.93 4.08 0.29 5.48 -4.23 -1.24 -0.72 115.64 115.36 1k4l s THR 70 Ca 0.14 0.46 -0.00 0.00 -1.18 0.00 0.00 61.69 61.11 1k4l s THR 70 Cb -0.01 -3.64 0.28 0.00 1.34 0.00 0.00 72.50 70.47 1k4l s THR 70 CO 0.02 -0.78 1.89 -0.65 -0.54 0.00 0.00 174.62 174.55 1k4l h PRO 71 N -0.33 1.04 -0.81 3.99 0.11 -1.94 0.15 132.00 134.20 1k4l h PRO 71 Ca -0.45 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 65.65 1k4l h PRO 71 Cb 1.23 -0.23 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 1k4l h PRO 71 CO 0.62 0.69 0.53 1.49 -0.21 0.00 0.00 178.00 181.12 1k4l h GLU 72 N 1.07 0.90 -0.03 1.05 4.22 -1.96 -0.35 114.58 119.48 1k4l h GLU 72 Ca 0.43 -0.05 -0.22 0.00 0.08 0.00 0.00 59.36 59.59 1k4l h GLU 72 Cb 0.26 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1k4l h GLU 72 CO -0.18 0.60 -0.89 0.00 -2.18 0.00 0.00 179.01 176.35 1k4l h ARG 73 N 0.93 0.49 -0.29 1.92 2.47 -1.24 0.57 114.38 119.22 1k4l h ARG 73 Ca 0.34 -0.48 -0.05 0.00 -1.26 0.00 0.00 59.98 58.53 1k4l h ARG 73 Cb 0.16 0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 1k4l h ARG 73 CO -0.11 1.12 -0.03 1.79 0.56 0.00 0.00 179.97 183.29 1k4l h THR 74 N 0.29 1.19 0.00 2.04 1.35 0.79 0.54 112.91 119.12 1k4l h THR 74 Ca -0.07 -0.79 -0.12 0.00 -0.55 0.00 0.00 66.41 64.88 1k4l h THR 74 Cb 1.52 1.01 0.01 0.00 -1.73 0.00 0.00 68.15 68.96 1k4l h THR 74 CO 0.16 0.26 -0.45 0.74 -0.25 0.00 0.00 175.52 175.98 1k4l h THR 75 N 0.44 1.48 -0.32 6.82 2.02 -1.22 0.20 112.91 122.34 1k4l h THR 75 Ca 0.09 -2.04 0.05 0.00 0.77 0.00 0.00 66.41 65.29 1k4l h THR 75 Cb 0.34 2.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.43 1k4l h THR 75 CO 0.01 0.58 0.22 0.00 0.37 0.00 0.00 175.52 176.70 1k4l h ALA 76 N 0.28 2.05 -0.27 6.16 0.00 -0.58 -2.08 119.26 124.82 1k4l h ALA 76 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1k4l h ALA 76 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1k4l h ALA 76 CO 0.09 -0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.51 1k4l n LEU 77 N -4.48 2.90 -3.34 0.00 4.77 0.16 -4.33 117.00 112.69 1k4l n LEU 77 Ca 0.04 -1.48 -0.15 0.00 -0.03 0.00 0.00 56.01 54.38 1k4l n LEU 77 Cb 0.25 -0.17 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1k4l n LEU 77 CO 0.35 0.63 0.08 -0.67 -1.33 0.00 0.00 177.39 176.45 1k4l n ASP 78 N 1.01 -6.55 -3.96 -1.43 -0.08 -0.17 -4.16 116.55 101.20 1k4l n ASP 78 Ca 0.14 -0.62 -0.31 0.00 -1.51 0.00 0.00 54.79 52.49 1k4l n ASP 78 Cb 0.47 -4.56 -0.13 0.00 2.34 0.00 0.00 41.12 39.24 1k4l n ASP 78 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1k4l s LEU 79 N -5.22 4.54 0.66 -2.67 1.43 0.54 -5.03 118.68 112.92 1k4l s LEU 79 Ca 0.30 -3.15 -0.16 0.00 -1.03 0.00 0.00 54.13 50.09 1k4l s LEU 79 Cb -0.07 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.48 1k4l s LEU 79 CO 0.78 -0.22 1.15 -2.16 0.23 0.00 0.00 176.35 176.13 1k4l s PRO 80 N -0.48 2.72 0.38 1.29 0.04 -1.26 -4.72 135.00 132.97 1k4l s PRO 80 Ca 0.18 1.56 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 1k4l s PRO 80 Cb -0.22 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 1k4l s PRO 80 CO -0.03 -1.35 1.43 -0.65 0.04 0.00 0.00 177.00 176.44 1k4l s GLN 81 N -3.86 4.07 0.27 4.56 -1.52 -1.26 -0.91 119.66 121.01 1k4l s GLN 81 Ca 0.71 2.44 -0.03 0.00 -1.95 0.00 0.00 55.36 56.53 1k4l s GLN 81 Cb -0.24 -2.91 0.38 0.00 -0.22 0.00 0.00 33.01 30.02 1k4l s GLN 81 CO 0.40 -0.52 1.92 1.98 -0.25 0.00 0.00 175.29 178.82 1k4l h MET 82 N 2.92 1.18 -5.41 2.91 4.05 -0.65 -3.42 114.93 116.51 1k4l h MET 82 Ca -0.50 -0.07 -0.45 0.00 -0.28 0.00 0.00 59.70 58.40 1k4l h MET 82 Cb 1.24 -0.27 -0.24 0.00 -0.80 0.00 0.00 31.60 31.54 1k4l h MET 82 CO 0.64 0.78 -0.79 0.14 0.23 0.00 0.00 176.91 177.90 1k4l s VAL 83 N -6.03 1.17 0.05 -5.77 -7.23 -1.26 -4.95 120.40 96.38 1k4l s VAL 83 Ca -0.12 -1.12 -0.12 0.00 -1.81 0.00 0.00 61.98 58.81 1k4l s VAL 83 Cb 0.19 -1.07 -0.33 0.00 0.56 0.00 0.00 36.38 35.72 1k4l s VAL 83 CO 0.81 -0.05 1.05 0.71 -0.31 0.00 0.00 175.10 177.31 1k4l h THR 84 N 4.42 1.35 -3.44 5.32 1.35 -2.00 -3.38 112.91 116.53 1k4l h THR 84 Ca -0.39 -2.81 -0.68 0.00 -0.55 0.00 0.00 66.41 61.98 1k4l h THR 84 Cb 1.18 3.01 -0.37 0.00 -1.73 0.00 0.00 68.15 70.23 1k4l h THR 84 CO 0.43 0.84 -0.41 -1.00 -0.25 0.00 0.00 175.52 175.12 1k4l s HIS 85 N -2.63 3.42 -0.25 4.73 3.76 -1.26 -5.03 115.29 118.03 1k4l s HIS 85 Ca -0.07 -2.93 -0.28 0.00 -0.15 0.00 0.00 55.06 51.62 1k4l s HIS 85 Cb 0.05 -3.07 -0.04 0.00 1.11 0.00 0.00 32.58 30.63 1k4l s HIS 85 CO 0.93 -0.77 2.12 1.21 -0.85 0.00 0.00 174.74 177.38 1k4l s ASN 86 N 0.12 5.55 0.00 1.40 3.84 -1.26 -4.89 114.94 119.70 1k4l s ASN 86 Ca 0.19 1.75 0.26 0.00 0.21 0.00 0.00 52.86 55.28 1k4l s ASN 86 Cb -0.19 -2.51 0.78 0.00 -0.55 0.00 0.00 41.25 38.78 1k4l s ASN 86 CO -0.05 -1.91 1.58 0.00 -2.79 0.00 0.00 177.10 173.94 1k4l n ALA 87 N 11.39 3.11 -1.93 1.71 0.00 -1.26 -4.92 120.51 128.61 1k4l n ALA 87 Ca 0.28 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1k4l n ALA 87 Cb 0.45 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1k4l n ALA 87 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1k4l s ASP 88 N -2.61 6.60 0.54 0.00 -1.08 -1.26 -4.89 116.67 113.98 1k4l s ASP 88 Ca 0.22 2.62 0.36 0.00 -0.52 0.00 0.00 52.55 55.23 1k4l s ASP 88 Cb 0.19 -2.60 1.71 0.00 -1.46 0.00 0.00 42.92 40.77 1k4l s ASP 88 CO 0.55 -0.80 2.07 -0.65 0.52 0.00 0.00 175.17 176.86 1k4l h PRO 89 N 6.54 0.00 -0.02 4.34 0.11 -2.00 -1.37 132.00 139.61 1k4l h PRO 89 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1k4l h PRO 89 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1k4l h PRO 89 CO 0.89 0.00 -0.29 0.54 -0.21 0.00 0.00 178.00 178.93 1k4l n ARG 90 N -2.92 1.59 -2.16 1.05 1.74 -1.26 -4.95 116.66 109.74 1k4l n ARG 90 Ca -0.01 -1.24 -0.15 0.00 -0.77 0.00 0.00 57.85 55.69 1k4l n ARG 90 Cb 0.18 -1.42 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 1k4l n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k4l n GLY 91 N 1.31 0.01 3.57 -0.13 0.00 -0.52 -4.82 105.19 104.60 1k4l n GLY 91 Ca 0.10 -0.28 -0.48 0.00 0.00 0.00 0.00 46.02 45.36 1k4l n GLY 91 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k4l n THR 92 N -3.81 0.36 -0.61 2.61 -1.04 -1.26 -4.79 114.28 105.72 1k4l n THR 92 Ca -0.17 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.05 61.46 1k4l n THR 92 Cb 0.61 -1.94 -0.06 0.00 -1.82 0.00 0.00 70.33 67.12 1k4l n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k4l n ALA 93 N 9.19 4.21 -1.81 2.41 0.00 -1.26 -4.95 120.51 128.29 1k4l n ALA 93 Ca 0.32 -1.37 -0.41 0.00 0.00 0.00 0.00 53.44 51.98 1k4l n ALA 93 Cb 0.30 -2.56 -0.02 0.00 0.00 0.00 0.00 19.45 17.17 1k4l n ALA 93 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1k4l s TYR 94 N 2.51 2.86 0.39 0.00 1.51 -1.26 -1.45 117.35 121.90 1k4l s TYR 94 Ca 0.37 0.91 0.00 0.00 -1.01 0.00 0.00 57.07 57.35 1k4l s TYR 94 Cb 0.15 -3.96 0.08 0.00 -0.11 0.00 0.00 41.96 38.11 1k4l s TYR 94 CO -0.01 -3.15 0.53 0.25 -1.11 0.00 0.00 175.55 172.06 1k4l n THR 95 N 2.16 0.00 -2.15 -0.71 -2.24 -0.19 -0.10 114.28 111.04 1k4l n THR 95 Ca 0.07 -0.88 -0.35 0.00 -2.27 0.00 0.00 64.05 60.63 1k4l n THR 95 Cb 0.39 -1.08 0.01 0.00 -2.10 0.00 0.00 70.33 67.55 1k4l n THR 95 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1k4l s VAL 96 N -1.51 3.11 0.71 2.28 0.11 -0.09 -4.08 120.40 120.94 1k4l s VAL 96 Ca 0.36 0.66 -0.11 0.00 -2.93 0.00 0.00 61.98 59.96 1k4l s VAL 96 Cb -0.02 -3.24 0.02 0.00 -1.53 0.00 0.00 36.38 31.60 1k4l s VAL 96 CO 0.24 -0.17 1.08 -0.94 -3.33 0.00 0.00 175.10 171.97 1k4l s SER 97 N -1.86 5.33 0.11 3.54 1.04 -1.26 -4.51 113.70 116.08 1k4l s SER 97 Ca 0.73 1.30 -0.09 0.00 0.48 0.00 0.00 55.95 58.36 1k4l s SER 97 Cb -0.24 -2.13 -0.00 0.00 0.10 0.00 0.00 66.02 63.74 1k4l s SER 97 CO 0.30 -1.44 0.24 0.68 0.98 0.00 0.00 173.24 174.00 1k4l s VAL 98 N -3.23 0.11 0.26 5.02 -7.23 -0.41 -2.62 120.40 112.31 1k4l s VAL 98 Ca 0.58 -1.19 0.10 0.00 -1.81 0.00 0.00 61.98 59.66 1k4l s VAL 98 Cb -0.12 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 1k4l s VAL 98 CO 0.53 -0.52 -0.15 -1.81 -0.31 0.00 0.00 175.10 172.85 1k4l s ASP 99 N -2.89 3.16 -0.05 4.85 1.11 -0.38 -0.61 116.67 121.86 1k4l s ASP 99 Ca 0.08 -1.07 -0.30 0.00 0.18 0.00 0.00 52.55 51.45 1k4l s ASP 99 Cb 0.04 -0.23 -0.02 0.00 1.07 0.00 0.00 42.92 43.77 1k4l s ASP 99 CO -0.08 -0.11 1.01 0.00 1.18 0.00 0.00 175.17 177.18 1k4l s ALA 100 N -2.74 3.30 -0.91 5.23 0.00 -1.26 -0.48 121.76 124.90 1k4l s ALA 100 Ca 0.28 0.48 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 1k4l s ALA 100 Cb -0.02 -3.40 0.09 0.00 0.00 0.00 0.00 23.12 19.80 1k4l s ALA 100 CO 0.12 -0.45 1.21 -2.00 0.00 0.00 0.00 175.76 174.64 1k4l s GLU 101 N 1.56 3.51 -0.03 0.00 2.56 0.19 -4.77 118.70 121.72 1k4l s GLU 101 Ca 0.51 -1.37 -0.09 0.00 0.00 0.00 0.00 54.97 54.01 1k4l s GLU 101 Cb -0.20 -4.92 0.01 0.00 2.00 0.00 0.00 34.13 31.02 1k4l s GLU 101 CO 0.23 -1.93 0.20 -1.58 -0.56 0.00 0.00 175.26 171.62 1k4l s HIS 102 N 3.70 -0.11 0.58 5.30 2.46 -1.26 -4.88 115.29 121.09 1k4l s HIS 102 Ca 0.35 0.21 0.28 0.00 0.47 0.00 0.00 55.06 56.37 1k4l s HIS 102 Cb -0.05 0.03 1.69 0.00 -0.13 0.00 0.00 32.58 34.11 1k4l s HIS 102 CO -0.06 -0.25 2.18 -1.35 -2.47 0.00 0.00 174.74 172.80 1k4l h PRO 103 N 4.75 0.00 -0.00 2.88 0.11 -2.03 -0.76 132.00 136.94 1k4l h PRO 103 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1k4l h PRO 103 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1k4l h PRO 103 CO 0.39 0.00 -0.10 -1.13 -0.21 0.00 0.00 178.00 176.95 1k4l n SER 104 N -3.93 0.38 -4.77 -2.05 3.41 -1.26 -4.85 113.62 100.55 1k4l n SER 104 Ca -0.01 -0.47 -0.39 0.00 -0.26 0.00 0.00 58.87 57.75 1k4l n SER 104 Cb 0.18 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 1k4l n SER 104 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1k4l s THR 105 N -2.52 3.56 0.00 6.66 2.01 -0.29 -4.94 115.64 120.12 1k4l s THR 105 Ca 0.28 1.40 0.00 0.00 0.31 0.00 0.00 61.69 63.68 1k4l s THR 105 Cb 0.20 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1k4l s THR 105 CO 0.48 0.20 0.00 0.35 -0.69 0.00 0.00 174.62 174.96 1k4l n THR 106 N 0.61 0.00 1.26 -0.82 -2.24 -1.26 -4.91 114.28 106.92 1k4l n THR 106 Ca 0.02 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 1k4l n THR 106 Cb 0.47 -0.03 0.41 0.00 -2.10 0.00 0.00 70.33 69.07 1k4l n THR 106 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k4l n THR 107 N 0.00 0.00 0.00 4.28 -2.24 -1.26 -4.95 114.28 110.11 1k4l n THR 107 Ca 0.00 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1k4l n THR 107 Cb 0.00 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1k4l n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k4l n GLY 108 N 1.33 2.77 0.06 3.38 0.00 -1.26 -4.88 105.19 106.60 1k4l n GLY 108 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 1k4l n GLY 108 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1k4l n ILE 109 N -2.00 0.58 -0.90 -0.61 0.13 -1.26 -4.03 119.36 111.28 1k4l n ILE 109 Ca 0.00 -0.61 -0.33 0.00 -1.10 0.00 0.00 62.75 60.72 1k4l n ILE 109 Cb 0.00 -0.28 0.14 0.00 -0.84 0.00 0.00 39.64 38.66 1k4l n ILE 109 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1k4l n SER 110 N -2.54 0.24 -0.32 9.51 3.41 -1.26 -4.61 113.62 118.04 1k4l n SER 110 Ca -0.09 0.49 0.09 0.00 -0.26 0.00 0.00 58.87 59.10 1k4l n SER 110 Cb 0.72 -1.44 0.30 0.00 -0.26 0.00 0.00 64.21 63.53 1k4l n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k4l h ALA 111 N -1.36 1.65 0.02 7.33 0.00 -1.93 -0.04 119.26 124.93 1k4l h ALA 111 Ca -0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1k4l h ALA 111 Cb 1.29 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1k4l h ALA 111 CO 0.42 0.09 -0.03 1.25 0.00 0.00 0.00 179.25 180.99 1k4l h HIS 112 N 0.86 -0.07 -0.39 0.00 -0.00 -1.90 0.57 115.15 114.22 1k4l h HIS 112 Ca 0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.84 1k4l h HIS 112 Cb 0.61 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 1k4l h HIS 112 CO -0.00 -0.05 0.17 -0.44 -0.00 0.00 0.00 177.93 177.62 1k4l h ASP 113 N -0.06 0.52 -0.45 3.26 5.19 -1.54 -1.09 116.42 122.25 1k4l h ASP 113 Ca 0.01 -0.14 -0.13 0.00 -0.62 0.00 0.00 57.03 56.15 1k4l h ASP 113 Cb 0.07 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1k4l h ASP 113 CO -0.02 0.52 -0.21 0.03 -3.12 0.00 0.00 179.24 176.44 1k4l h ARG 114 N 0.49 0.94 -0.81 3.56 3.08 -1.01 -1.05 114.38 119.57 1k4l h ARG 114 Ca 0.13 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 1k4l h ARG 114 Cb 0.15 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1k4l h ARG 114 CO -0.01 1.07 0.41 0.00 -1.07 0.00 0.00 179.97 180.37 1k4l h ALA 115 N 0.85 1.20 -0.34 0.04 0.00 -0.75 -1.97 119.26 118.28 1k4l h ALA 115 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1k4l h ALA 115 Cb 0.79 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1k4l h ALA 115 CO 0.07 0.63 0.18 1.25 0.00 0.00 0.00 179.25 181.37 1k4l h LEU 116 N 1.15 0.43 -1.02 0.00 5.85 -0.88 -1.38 115.31 119.45 1k4l h LEU 116 Ca 0.28 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1k4l h LEU 116 Cb 0.07 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1k4l h LEU 116 CO -0.04 0.41 0.66 0.00 -0.34 0.00 0.00 178.44 179.12 1k4l h ALA 117 N 1.04 1.34 -0.20 1.25 0.00 -0.86 -0.64 119.26 121.19 1k4l h ALA 117 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1k4l h ALA 117 Cb 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1k4l h ALA 117 CO -0.02 0.56 0.08 0.00 0.00 0.00 0.00 179.25 179.87 1k4l h ARG 119 N 0.16 1.14 -0.45 0.00 3.08 -0.71 -2.50 114.38 115.10 1k4l h ARG 119 Ca 0.06 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1k4l h ARG 119 Cb 0.18 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1k4l h ARG 119 CO -0.00 0.88 0.12 0.52 -1.07 0.00 0.00 179.97 180.42 1k4l h MET 120 N 1.11 0.71 -0.09 0.04 2.86 -1.02 0.30 114.93 118.85 1k4l h MET 120 Ca 0.27 -0.16 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1k4l h MET 120 Cb 0.13 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1k4l h MET 120 CO -0.03 0.70 0.07 -0.07 1.06 0.00 0.00 176.91 178.64 1k4l h LEU 121 N 0.59 0.00 0.00 1.22 3.38 -0.86 -2.25 115.31 117.38 1k4l h LEU 121 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1k4l h LEU 121 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1k4l h LEU 121 CO -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 178.44 178.00 1k4l n ALA 122 N -2.50 3.45 -1.75 1.53 0.00 -0.31 -4.91 120.51 116.02 1k4l n ALA 122 Ca -0.01 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1k4l n ALA 122 Cb 0.18 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.50 1k4l n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k4l n ALA 123 N -1.55 2.07 0.24 0.00 0.00 -0.06 -4.84 120.51 116.37 1k4l n ALA 123 Ca 0.05 0.35 0.07 0.00 0.00 0.00 0.00 53.44 53.91 1k4l n ALA 123 Cb 0.35 -2.38 0.55 0.00 0.00 0.00 0.00 19.45 17.98 1k4l n ALA 123 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1k4l h PRO 124 N 3.05 0.00 -0.50 0.00 0.13 -1.91 -1.12 132.00 131.65 1k4l h PRO 124 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1k4l h PRO 124 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1k4l h PRO 124 CO 0.65 0.14 0.00 -0.40 -0.23 0.00 0.00 178.00 178.16 1k4l n ASP 125 N -4.32 2.52 -4.68 1.44 5.75 -1.26 -4.98 116.55 111.03 1k4l n ASP 125 Ca -0.03 -2.13 -0.44 0.00 -0.01 0.00 0.00 54.79 52.19 1k4l n ASP 125 Cb 0.21 -0.35 -0.01 0.00 -1.03 0.00 0.00 41.12 39.93 1k4l n ASP 125 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k4l n ALA 126 N 0.59 1.11 -2.45 2.12 0.00 -0.43 -5.02 120.51 116.43 1k4l n ALA 126 Ca 0.14 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.81 1k4l n ALA 126 Cb 0.45 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.55 1k4l n ALA 126 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1k4l s GLN 127 N -1.28 0.91 0.31 0.00 -1.52 -1.26 -4.92 119.66 111.91 1k4l s GLN 127 Ca 0.61 -1.22 0.08 0.00 -1.95 0.00 0.00 55.36 52.88 1k4l s GLN 127 Cb -0.61 -0.63 0.83 0.00 -0.22 0.00 0.00 33.01 32.38 1k4l s GLN 127 CO 0.57 0.10 1.74 -1.35 -0.25 0.00 0.00 175.29 176.10 1k4l h PRO 128 N 3.45 0.60 0.00 2.91 0.11 -1.75 0.14 132.00 137.45 1k4l h PRO 128 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1k4l h PRO 128 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1k4l h PRO 128 CO 0.54 0.40 0.00 -1.13 -0.21 0.00 0.00 178.00 177.60 1k4l n SER 129 N -4.86 0.00 0.14 -2.05 3.41 -1.26 -2.34 113.62 106.66 1k4l n SER 129 Ca 0.26 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 1k4l n SER 129 Cb 0.69 -0.44 0.44 0.00 -0.26 0.00 0.00 64.21 64.64 1k4l n SER 129 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1k4l h HIS 130 N 0.00 0.00 -4.34 7.33 3.86 -1.07 -3.45 115.15 117.48 1k4l h HIS 130 Ca 0.00 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.52 1k4l h HIS 130 Cb 0.18 0.00 -0.27 0.00 1.06 0.00 0.00 27.41 28.38 1k4l h HIS 130 CO 0.00 0.00 -0.88 -0.06 0.86 0.00 0.00 177.93 177.85 1k4l s PHE 131 N -3.25 2.31 -0.09 2.45 0.40 -0.99 0.55 117.98 119.36 1k4l s PHE 131 Ca 0.07 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 55.86 1k4l s PHE 131 Cb 0.10 -1.40 -0.05 0.00 0.51 0.00 0.00 43.02 42.19 1k4l s PHE 131 CO 0.53 0.10 0.29 1.03 0.70 0.00 0.00 175.22 177.87 1k4l s ARG 132 N -1.15 3.91 -0.07 0.44 0.52 0.37 -4.84 118.95 118.14 1k4l s ARG 132 Ca 0.11 0.15 0.04 0.00 -0.52 0.00 0.00 55.73 55.51 1k4l s ARG 132 Cb -0.10 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.08 1k4l s ARG 132 CO 0.02 0.55 -0.19 1.03 0.02 0.00 0.00 175.30 176.72 1k4l s ARG 133 N -0.49 2.24 0.90 3.54 3.00 -1.26 -1.25 118.95 125.62 1k4l s ARG 133 Ca 0.19 -0.68 -0.10 0.00 0.00 0.00 0.00 55.73 55.13 1k4l s ARG 133 Cb -0.14 -1.82 0.20 0.00 0.00 0.00 0.00 34.95 33.19 1k4l s ARG 133 CO 0.07 0.19 1.22 -1.25 0.00 0.00 0.00 175.30 175.54 1k4l s PRO 134 N 0.25 0.81 0.00 3.54 0.04 -1.26 -5.07 135.00 133.31 1k4l s PRO 134 Ca -0.11 -0.82 0.00 0.00 0.04 0.00 0.00 61.00 60.11 1k4l s PRO 134 Cb -0.15 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1k4l s PRO 134 CO 0.05 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.31 1k4l n GLY 135 N -3.48 3.43 0.07 0.56 0.00 -1.08 -4.45 105.19 100.24 1k4l n GLY 135 Ca 0.17 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.87 1k4l n GLY 135 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1k4l n HIS 136 N 0.00 0.03 -4.85 1.61 8.25 -0.65 -4.43 115.22 115.17 1k4l n HIS 136 Ca 0.00 -0.22 -0.31 0.00 -0.26 0.00 0.00 57.72 56.93 1k4l n HIS 136 Cb 0.00 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 30.95 1k4l n HIS 136 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1k4l s VAL 137 N -0.52 2.56 -0.61 1.59 1.01 0.22 -4.79 120.40 119.86 1k4l s VAL 137 Ca 0.02 -1.16 -0.04 0.00 0.00 0.00 0.00 61.98 60.81 1k4l s VAL 137 Cb 0.01 -2.02 0.16 0.00 0.00 0.00 0.00 36.38 34.53 1k4l s VAL 137 CO 0.02 0.42 0.44 -0.36 0.00 0.00 0.00 175.10 175.62 1k4l s PHE 138 N -0.82 3.46 0.43 5.22 0.40 -0.83 -1.29 117.98 124.56 1k4l s PHE 138 Ca 0.13 -2.57 -0.25 0.00 -0.60 0.00 0.00 56.93 53.63 1k4l s PHE 138 Cb -0.10 -3.27 -0.08 0.00 0.51 0.00 0.00 43.02 40.07 1k4l s PHE 138 CO 0.03 -0.88 1.31 -2.14 0.70 0.00 0.00 175.22 174.24 1k4l s PRO 139 N 0.16 3.81 -0.08 0.24 0.02 -1.26 -1.07 135.00 136.82 1k4l s PRO 139 Ca 0.15 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.36 1k4l s PRO 139 Cb -0.20 -2.65 0.01 0.00 0.02 0.00 0.00 34.50 31.69 1k4l s PRO 139 CO -0.04 -0.63 -0.14 -0.51 -0.33 0.00 0.00 177.00 175.35 1k4l s LEU 140 N -2.66 1.68 -0.52 -5.54 1.43 -0.56 -1.03 118.68 111.48 1k4l s LEU 140 Ca 0.60 -0.34 -0.26 0.00 -1.03 0.00 0.00 54.13 53.10 1k4l s LEU 140 Cb -0.38 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 44.95 1k4l s LEU 140 CO 0.48 0.04 1.00 -0.60 0.23 0.00 0.00 176.35 177.50 1k4l s ARG 141 N 0.71 3.46 0.46 1.70 3.52 -0.53 -0.60 118.95 127.68 1k4l s ARG 141 Ca -0.13 0.04 -0.23 0.00 -0.13 0.00 0.00 55.73 55.28 1k4l s ARG 141 Cb -0.16 -3.99 -0.07 0.00 -1.56 0.00 0.00 34.95 29.17 1k4l s ARG 141 CO 0.03 -1.43 1.18 0.00 -0.81 0.00 0.00 175.30 174.27 1k4l s ALA 142 N 4.13 2.97 0.49 6.12 0.00 0.10 -4.65 121.76 130.91 1k4l s ALA 142 Ca 0.36 0.97 -0.20 0.00 0.00 0.00 0.00 51.96 53.10 1k4l s ALA 142 Cb -0.10 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 1k4l s ALA 142 CO 0.24 -0.72 1.03 0.14 0.00 0.00 0.00 175.76 176.46 1k4l s VAL 143 N -1.52 3.83 0.32 0.00 -7.23 -1.26 -4.26 120.40 110.29 1k4l s VAL 143 Ca 0.64 1.13 0.09 0.00 -1.81 0.00 0.00 61.98 62.03 1k4l s VAL 143 Cb -0.30 -3.46 0.31 0.00 0.56 0.00 0.00 36.38 33.50 1k4l s VAL 143 CO 0.36 -0.26 1.74 0.00 -0.31 0.00 0.00 175.10 176.63 1k4l h ALA 144 N 1.53 1.79 0.00 1.32 0.00 -1.99 -1.05 119.26 120.85 1k4l h ALA 144 Ca -0.49 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1k4l h ALA 144 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1k4l h ALA 144 CO 0.59 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.01 1k4l n GLY 145 N -1.32 -0.77 7.00 0.00 0.00 -1.26 -5.00 105.19 103.83 1k4l n GLY 145 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1k4l n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k4l n GLY 146 N 0.53 0.71 0.29 -0.02 0.00 -0.40 -3.62 105.19 102.69 1k4l n GLY 146 Ca 0.18 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.49 1k4l n GLY 146 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1k4l h VAL 147 N 0.00 0.84 0.00 1.61 -1.51 -1.79 -1.24 116.25 114.16 1k4l h VAL 147 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.40 1k4l h VAL 147 Cb 0.00 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 1k4l h VAL 147 CO 0.00 0.00 -0.31 0.03 -1.23 0.00 0.00 177.57 176.06 1k4l h ARG 148 N 0.00 0.00 0.17 5.19 3.08 -1.96 -3.30 114.38 117.56 1k4l h ARG 148 Ca 0.05 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.79 1k4l h ARG 148 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.29 1k4l h ARG 148 CO -0.00 0.31 -1.53 0.00 -1.07 0.00 0.00 179.97 177.68 1k4l h ALA 149 N 1.69 0.11 -3.21 0.04 0.00 -1.31 -3.45 119.26 113.12 1k4l h ALA 149 Ca -0.00 -1.06 -0.46 0.00 0.00 0.00 0.00 54.91 53.39 1k4l h ALA 149 Cb 0.84 0.41 -0.40 0.00 0.00 0.00 0.00 17.79 18.64 1k4l h ALA 149 CO 0.04 0.87 -0.76 0.50 0.00 0.00 0.00 179.25 179.90 1k4l s ARG 150 N -2.53 0.36 -0.17 0.00 3.52 -0.84 -5.04 118.95 114.25 1k4l s ARG 150 Ca -0.16 -0.08 -0.05 0.00 -0.13 0.00 0.00 55.73 55.30 1k4l s ARG 150 Cb 0.04 -1.53 -0.15 0.00 -1.56 0.00 0.00 34.95 31.76 1k4l s ARG 150 CO 0.83 -0.52 3.30 0.54 -0.81 0.00 0.00 175.30 178.64 1k4l n ARG 151 N 5.18 2.14 -4.19 5.12 1.74 -1.25 -4.25 116.66 121.15 1k4l n ARG 151 Ca -0.07 -1.49 -0.24 0.00 -0.77 0.00 0.00 57.85 55.28 1k4l n ARG 151 Cb 0.49 -2.05 -0.07 0.00 -1.02 0.00 0.00 32.46 29.81 1k4l n ARG 151 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1k4l s GLY 152 N 1.39 2.10 0.52 -0.13 0.00 -1.26 -4.67 107.32 105.26 1k4l s GLY 152 Ca 0.64 -1.95 0.24 0.00 0.00 0.00 0.00 44.72 43.65 1k4l s GLY 152 CO -0.08 -1.85 2.11 0.45 0.00 0.00 0.00 173.10 173.73 1k4l h HIS 153 N 1.61 0.00 0.21 1.90 3.86 -1.96 0.09 115.15 120.86 1k4l h HIS 153 Ca -0.43 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.77 1k4l h HIS 153 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 1k4l h HIS 153 CO 0.65 0.09 -0.10 1.15 0.86 0.00 0.00 177.93 180.59 1k4l h THR 154 N 0.00 0.85 -0.73 2.45 2.02 -1.95 -0.26 112.91 115.29 1k4l h THR 154 Ca -0.00 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 1k4l h THR 154 Cb 0.22 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1k4l h THR 154 CO 0.01 0.07 0.27 -0.33 0.37 0.00 0.00 175.52 175.91 1k4l h GLU 155 N -0.42 1.10 -0.74 6.66 3.07 -1.71 -2.50 114.58 120.05 1k4l h GLU 155 Ca -0.03 -0.21 0.03 0.00 -0.50 0.00 0.00 59.36 58.65 1k4l h GLU 155 Cb 0.32 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.02 1k4l h GLU 155 CO 0.05 0.91 0.47 0.00 -1.40 0.00 0.00 179.01 179.04 1k4l h ALA 156 N 1.22 0.96 -0.37 3.43 0.00 -0.74 0.24 119.26 124.00 1k4l h ALA 156 Ca 0.24 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1k4l h ALA 156 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1k4l h ALA 156 CO -0.02 0.28 0.06 0.78 0.00 0.00 0.00 179.25 180.35 1k4l h GLY 157 N 0.93 0.65 1.03 0.00 0.00 -0.77 -1.14 103.07 103.77 1k4l h GLY 157 Ca 0.29 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1k4l h GLY 157 CO -0.10 0.40 0.07 -2.08 0.00 0.00 0.00 176.54 174.84 1k4l h VAL 158 N 0.45 1.26 -0.37 4.60 2.07 -1.08 -2.14 116.25 121.02 1k4l h VAL 158 Ca 0.11 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.65 1k4l h VAL 158 Cb 0.36 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1k4l h VAL 158 CO 0.01 0.37 0.14 -0.08 0.02 0.00 0.00 177.57 178.03 1k4l h GLU 159 N 0.87 0.30 -0.67 1.57 4.57 -0.39 -1.52 114.58 119.30 1k4l h GLU 159 Ca 0.17 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1k4l h GLU 159 Cb 0.45 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 1k4l h GLU 159 CO 0.02 0.20 0.41 -0.07 -1.18 0.00 0.00 179.01 178.39 1k4l h LEU 160 N 0.31 0.67 -0.35 1.64 3.38 -1.06 0.17 115.31 120.08 1k4l h LEU 160 Ca 0.17 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1k4l h LEU 160 Cb 0.13 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1k4l h LEU 160 CO -0.16 0.46 -0.02 0.00 0.09 0.00 0.00 178.44 178.81 1k4l h ARG 162 N 0.07 -0.11 -0.85 0.00 2.43 -0.41 0.23 114.38 115.75 1k4l h ARG 162 Ca 0.17 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.44 1k4l h ARG 162 Cb 0.24 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 1k4l h ARG 162 CO -0.30 -0.02 0.55 -0.07 -1.51 0.00 0.00 179.97 178.62 1k4l h LEU 163 N -0.18 0.75 -1.76 3.80 3.38 -0.32 -1.82 115.31 119.16 1k4l h LEU 163 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1k4l h LEU 163 Cb 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1k4l h LEU 163 CO 0.02 0.45 0.00 0.00 0.09 0.00 0.00 178.44 179.00 1k4l n ALA 164 N -2.42 2.47 -2.37 1.53 0.00 0.75 -4.95 120.51 115.51 1k4l n ALA 164 Ca 0.14 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.69 1k4l n ALA 164 Cb 0.30 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1k4l n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k4l n GLY 165 N 1.33 -0.12 4.01 0.00 0.00 -0.68 -4.76 105.19 104.97 1k4l n GLY 165 Ca 0.18 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 1k4l n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k4l s LYS 166 N -4.79 2.47 0.53 1.61 -0.14 0.75 -5.03 119.74 115.13 1k4l s LYS 166 Ca 0.05 -1.55 -0.22 0.00 -1.36 0.00 0.00 55.97 52.89 1k4l s LYS 166 Cb -0.02 -2.62 -0.06 0.00 -1.68 0.00 0.00 37.83 33.45 1k4l s LYS 166 CO 0.06 -0.63 1.25 0.54 -0.76 0.00 0.00 175.35 175.81 1k4l n ARG 167 N -2.05 1.56 -0.70 1.68 5.12 -1.26 -4.57 116.66 116.44 1k4l n ARG 167 Ca 0.11 0.57 -0.06 0.00 -1.93 0.00 0.00 57.85 56.55 1k4l n ARG 167 Cb 0.61 -2.43 -0.08 0.00 -1.16 0.00 0.00 32.46 29.40 1k4l n ARG 167 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1k4l n PRO 168 N -0.75 1.41 -3.84 5.56 -0.04 -1.26 -4.73 135.00 131.35 1k4l n PRO 168 Ca 0.10 -0.47 -0.20 0.00 -0.04 0.00 0.00 63.50 62.89 1k4l n PRO 168 Cb 0.44 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.23 1k4l n PRO 168 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1k4l s VAL 169 N 0.63 0.21 0.51 0.52 1.01 -1.26 -3.68 120.40 118.34 1k4l s VAL 169 Ca 0.32 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.49 1k4l s VAL 169 Cb 0.15 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.18 1k4l s VAL 169 CO 0.00 0.20 0.22 0.00 0.00 0.00 0.00 175.10 175.52 1k4l s ALA 170 N 1.58 4.19 -0.04 5.51 0.00 -0.13 -0.85 121.76 132.02 1k4l s ALA 170 Ca -0.02 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1k4l s ALA 170 Cb -0.13 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.61 1k4l s ALA 170 CO -0.03 -0.25 -0.08 0.08 0.00 0.00 0.00 175.76 175.48 1k4l s VAL 171 N -2.79 0.78 0.04 0.00 1.01 0.41 -2.86 120.40 116.99 1k4l s VAL 171 Ca 0.24 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 1k4l s VAL 171 Cb 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1k4l s VAL 171 CO 0.14 0.27 -0.04 0.27 0.00 0.00 0.00 175.10 175.74 1k4l s ILE 172 N 0.62 0.24 -0.09 2.22 -4.36 0.02 -1.56 121.20 118.29 1k4l s ILE 172 Ca -0.10 -1.49 -0.31 0.00 -0.26 0.00 0.00 60.65 58.49 1k4l s ILE 172 Cb -0.13 -1.08 0.09 0.00 1.25 0.00 0.00 42.46 42.59 1k4l s ILE 172 CO 0.01 -0.79 0.81 -0.55 0.24 0.00 0.00 174.94 174.66 1k4l s SER 173 N -2.39 -0.53 0.29 4.36 0.15 -1.06 -1.28 113.70 113.23 1k4l s SER 173 Ca -0.01 0.57 -0.28 0.00 0.70 0.00 0.00 55.95 56.93 1k4l s SER 173 Cb 0.01 0.44 -0.09 0.00 -1.71 0.00 0.00 66.02 64.67 1k4l s SER 173 CO -0.06 -0.50 1.00 -1.61 1.20 0.00 0.00 173.24 173.27 1k4l s GLU 174 N -1.20 4.66 -0.43 5.44 8.01 -1.26 -1.77 118.70 132.14 1k4l s GLU 174 Ca -0.07 1.56 -0.24 0.00 0.01 0.00 0.00 54.97 56.22 1k4l s GLU 174 Cb -0.00 -3.07 0.02 0.00 -4.31 0.00 0.00 34.13 26.77 1k4l s GLU 174 CO 0.06 0.30 0.86 0.42 0.01 0.00 0.00 175.26 176.91 1k4l s ILE 175 N -1.32 4.58 0.63 -1.63 1.01 0.96 -1.03 121.20 124.40 1k4l s ILE 175 Ca 0.46 0.72 -0.02 0.00 0.00 0.00 0.00 60.65 61.80 1k4l s ILE 175 Cb -0.26 -4.35 0.05 0.00 0.01 0.00 0.00 42.46 37.91 1k4l s ILE 175 CO 0.33 -0.70 0.89 0.68 0.00 0.00 0.00 174.94 176.14 1k4l s VAL 176 N 3.48 2.46 -0.49 2.92 -7.23 -1.22 -2.32 120.40 118.00 1k4l s VAL 176 Ca 0.34 -0.48 -0.12 0.00 -1.81 0.00 0.00 61.98 59.91 1k4l s VAL 176 Cb -0.11 -2.98 0.12 0.00 0.56 0.00 0.00 36.38 33.96 1k4l s VAL 176 CO 0.23 0.00 0.40 -0.62 -0.31 0.00 0.00 175.10 174.80 1k4l s ASP 177 N -4.48 5.89 0.00 4.85 -1.08 0.35 -4.34 116.67 117.86 1k4l s ASP 177 Ca 0.59 -1.83 0.00 0.00 -0.52 0.00 0.00 52.55 50.80 1k4l s ASP 177 Cb -0.10 -2.09 0.01 0.00 -1.46 0.00 0.00 42.92 39.28 1k4l s ASP 177 CO 0.42 -0.74 0.81 -0.90 0.52 0.00 0.00 175.17 175.27 1k4l n ASP 178 N 5.04 0.00 0.00 -0.34 5.68 -1.26 -0.70 116.55 124.97 1k4l n ASP 178 Ca -0.10 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1k4l n ASP 178 Cb 0.41 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1k4l n ASP 178 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k4l n GLY 179 N 0.31 1.03 3.50 6.12 0.00 -1.26 -4.72 105.19 110.16 1k4l n GLY 179 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 1k4l n GLY 179 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k4l s GLN 180 N 0.00 1.81 0.64 1.61 1.11 0.69 -4.87 119.66 120.65 1k4l s GLN 180 Ca 0.00 -1.22 -0.18 0.00 0.01 0.00 0.00 55.36 53.97 1k4l s GLN 180 Cb 0.00 -2.10 -0.01 0.00 -1.01 0.00 0.00 33.01 29.89 1k4l s GLN 180 CO 0.00 0.47 1.23 -2.00 0.01 0.00 0.00 175.29 175.00 1k4l s GLU 181 N -2.31 2.67 -0.30 2.91 2.12 -1.26 -0.98 118.70 121.56 1k4l s GLU 181 Ca 0.19 1.87 0.01 0.00 0.36 0.00 0.00 54.97 57.40 1k4l s GLU 181 Cb -0.10 -1.89 0.09 0.00 0.26 0.00 0.00 34.13 32.49 1k4l s GLU 181 CO 0.11 -1.45 0.05 0.08 -0.54 0.00 0.00 175.26 173.51 1k4l s VAL 182 N -1.63 1.35 -0.17 3.70 1.01 -1.25 -4.78 120.40 118.62 1k4l s VAL 182 Ca 0.78 -1.56 -0.41 0.00 0.00 0.00 0.00 61.98 60.79 1k4l s VAL 182 Cb -0.32 -1.92 -0.19 0.00 0.00 0.00 0.00 36.38 33.96 1k4l s VAL 182 CO 0.38 -0.51 1.39 1.21 0.00 0.00 0.00 175.10 177.56 1k4l n GLU 183 N 4.67 0.44 -0.85 2.72 4.07 -1.26 -0.55 120.64 129.88 1k4l n GLU 183 Ca -0.03 0.16 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 1k4l n GLU 183 Cb 0.43 -1.72 0.00 0.00 -0.06 0.00 0.00 31.44 30.09 1k4l n GLU 183 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k4l n GLY 184 N 2.86 0.22 3.26 8.31 0.00 -1.26 -4.99 105.19 113.59 1k4l n GLY 184 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 1k4l n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k4l s ARG 185 N -1.08 1.67 -0.43 1.61 1.81 0.29 -5.03 118.95 117.79 1k4l s ARG 185 Ca 0.00 -0.87 -0.07 0.00 -1.72 0.00 0.00 55.73 53.07 1k4l s ARG 185 Cb 0.00 -1.69 -0.20 0.00 -0.45 0.00 0.00 34.95 32.61 1k4l s ARG 185 CO 0.00 0.45 3.21 0.00 -0.68 0.00 0.00 175.30 178.28 1k4l n ALA 186 N 2.24 6.25 -2.62 2.13 0.00 -1.26 -4.54 120.51 122.71 1k4l n ALA 186 Ca -0.16 -2.13 -0.09 0.00 0.00 0.00 0.00 53.44 51.06 1k4l n ALA 186 Cb 0.53 -2.60 -0.07 0.00 0.00 0.00 0.00 19.45 17.30 1k4l n ALA 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1k4l s VAL 187 N 1.52 0.11 -0.07 0.00 -7.23 -1.26 -5.16 120.40 108.31 1k4l s VAL 187 Ca 0.62 -1.29 0.03 0.00 -1.81 0.00 0.00 61.98 59.52 1k4l s VAL 187 Cb 0.26 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.62 1k4l s VAL 187 CO -0.02 -0.48 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.02 1k4l s ARG 188 N -3.92 1.94 0.14 4.82 1.81 -1.26 -3.93 118.95 118.56 1k4l s ARG 188 Ca 0.11 -0.49 -0.20 0.00 -1.72 0.00 0.00 55.73 53.42 1k4l s ARG 188 Cb 0.04 -1.56 -0.07 0.00 -0.45 0.00 0.00 34.95 32.90 1k4l s ARG 188 CO -0.06 0.05 0.66 0.00 -0.68 0.00 0.00 175.30 175.27 1k4l s ALA 189 N 0.62 3.51 -1.21 2.13 0.00 -0.16 -4.39 121.76 122.25 1k4l s ALA 189 Ca -0.15 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.81 1k4l s ALA 189 Cb -0.16 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 1k4l s ALA 189 CO 0.05 0.36 0.71 0.00 0.00 0.00 0.00 175.76 176.88 1k4l n ALA 190 N 1.32 -2.37 -1.92 0.00 0.00 -1.26 -0.22 120.51 116.06 1k4l n ALA 190 Ca -0.07 -0.22 -0.30 0.00 0.00 0.00 0.00 53.44 52.86 1k4l n ALA 190 Cb 0.50 -3.38 0.15 0.00 0.00 0.00 0.00 19.45 16.73 1k4l n ALA 190 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1k4l s PRO 191 N -6.04 1.09 0.00 0.00 0.04 -1.26 -4.24 135.00 124.58 1k4l s PRO 191 Ca 0.32 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1k4l s PRO 191 Cb -0.11 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1k4l s PRO 191 CO 0.86 -2.14 0.00 0.41 0.04 0.00 0.00 177.00 176.17 1k4l n GLY 192 N -3.60 -0.82 3.18 0.56 0.00 0.12 -4.88 105.19 99.75 1k4l n GLY 192 Ca 0.13 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1k4l n GLY 192 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1k4l s MET 193 N -0.71 1.47 0.24 1.61 -1.94 -1.26 -0.49 119.30 118.21 1k4l s MET 193 Ca 0.00 -0.67 -0.30 0.00 -1.71 0.00 0.00 55.69 53.01 1k4l s MET 193 Cb 0.00 -1.43 -0.09 0.00 2.01 0.00 0.00 34.83 35.32 1k4l s MET 193 CO 0.00 0.39 1.23 -1.17 -0.01 0.00 0.00 175.02 175.46 1k4l s LEU 194 N -0.49 4.46 0.11 -0.03 2.96 -0.98 -4.60 118.68 120.11 1k4l s LEU 194 Ca 0.07 2.38 0.04 0.00 -0.22 0.00 0.00 54.13 56.40 1k4l s LEU 194 Cb -0.07 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1k4l s LEU 194 CO -0.01 -0.40 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.39 1k4l s ARG 195 N -0.77 0.90 0.00 1.98 0.52 -1.26 -4.28 118.95 116.04 1k4l s ARG 195 Ca 0.51 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1k4l s ARG 195 Cb -0.35 -0.57 0.00 0.00 0.52 0.00 0.00 34.95 34.54 1k4l s ARG 195 CO 0.41 0.09 0.00 0.41 0.02 0.00 0.00 175.30 176.23 1k4l n GLY 196 N 0.42 1.75 0.37 -3.53 0.00 -1.26 -1.42 105.19 101.51 1k4l n GLY 196 Ca -0.15 0.38 0.18 0.00 0.00 0.00 0.00 46.02 46.43 1k4l n GLY 196 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k4l h ASP 197 N 0.00 0.05 0.61 1.61 3.32 -2.00 0.10 116.42 120.12 1k4l h ASP 197 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1k4l h ASP 197 Cb 0.00 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1k4l h ASP 197 CO 0.00 0.03 -0.41 1.05 -1.72 0.00 0.00 179.24 178.18 1k4l h GLU 198 N 0.06 0.00 -0.20 3.56 4.11 -1.64 -0.86 114.58 119.60 1k4l h GLU 198 Ca 0.24 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.47 1k4l h GLU 198 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1k4l h GLU 198 CO -0.01 0.41 -0.65 0.00 0.07 0.00 0.00 179.01 178.83 1k4l h VAL 200 N 0.54 1.24 -0.92 0.00 2.07 -1.35 0.38 116.25 118.22 1k4l h VAL 200 Ca -0.02 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 66.71 1k4l h VAL 200 Cb 1.25 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 1k4l h VAL 200 CO 0.13 0.26 0.60 0.00 0.02 0.00 0.00 177.57 178.58 1k4l h ALA 201 N 0.83 1.39 -0.44 1.67 0.00 -1.02 0.30 119.26 122.00 1k4l h ALA 201 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1k4l h ALA 201 Cb 0.36 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1k4l h ALA 201 CO 0.01 0.53 0.28 0.35 0.00 0.00 0.00 179.25 180.42 1k4l h PHE 202 N 1.18 0.56 -0.26 0.00 3.57 -0.32 0.45 116.94 122.13 1k4l h PHE 202 Ca 0.35 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 1k4l h PHE 202 Cb -0.04 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1k4l h PHE 202 CO -0.00 0.38 0.14 0.00 -2.23 0.00 0.00 178.31 176.60 1k4l h ALA 203 N 1.14 0.34 -0.83 2.41 0.00 0.42 -2.39 119.26 120.34 1k4l h ALA 203 Ca 0.16 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1k4l h ALA 203 Cb -0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1k4l h ALA 203 CO -0.03 -0.13 0.55 0.00 0.00 0.00 0.00 179.25 179.64 1k4l h ARG 204 N 0.31 0.99 -0.78 0.00 2.47 -0.10 -1.00 114.38 116.28 1k4l h ARG 204 Ca 0.09 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1k4l h ARG 204 Cb 0.08 -0.22 -0.04 0.00 -1.65 0.00 0.00 29.97 28.13 1k4l h ARG 204 CO -0.01 0.66 0.51 -0.09 0.56 0.00 0.00 179.97 181.60 1k4l h ARG 205 N 1.02 1.00 -0.56 0.04 2.43 -0.42 -2.87 114.38 115.02 1k4l h ARG 205 Ca 0.33 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1k4l h ARG 205 Cb 0.05 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1k4l h ARG 205 CO -0.10 0.66 0.00 0.91 -1.51 0.00 0.00 179.97 179.93 1k4l n TRP 206 N -4.42 1.10 -2.59 2.20 7.02 -0.89 -4.97 117.44 114.89 1k4l n TRP 206 Ca 0.09 -0.59 -0.13 0.00 -1.02 0.00 0.00 57.50 55.85 1k4l n TRP 206 Cb 0.05 -0.15 0.01 0.00 -2.42 0.00 0.00 31.31 28.80 1k4l n TRP 206 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1k4l n GLY 207 N 0.94 -0.04 3.69 6.99 0.00 -0.70 -5.02 105.19 111.04 1k4l n GLY 207 Ca 0.22 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1k4l n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k4l s LEU 208 N -3.93 3.37 0.34 0.99 1.43 -0.46 -5.04 118.68 115.38 1k4l s LEU 208 Ca 0.13 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1k4l s LEU 208 Cb -0.06 -1.93 -0.07 0.00 0.03 0.00 0.00 46.19 44.16 1k4l s LEU 208 CO 0.17 0.02 0.70 -0.54 0.23 0.00 0.00 176.35 176.92 1k4l s LYS 209 N -3.48 3.81 -0.01 1.70 -0.14 -1.26 -4.38 119.74 115.97 1k4l s LYS 209 Ca 0.30 0.41 0.01 0.00 -1.36 0.00 0.00 55.97 55.34 1k4l s LYS 209 Cb -0.08 -2.47 0.00 0.00 -1.68 0.00 0.00 37.83 33.60 1k4l s LYS 209 CO 0.21 0.09 -0.03 0.54 -0.76 0.00 0.00 175.35 175.40 1k4l s VAL 210 N -2.17 0.27 0.36 3.17 0.11 -1.26 -0.64 120.40 120.23 1k4l s VAL 210 Ca 0.50 -0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 59.37 1k4l s VAL 210 Cb -0.10 -0.25 0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1k4l s VAL 210 CO 0.27 0.09 0.59 0.00 -3.33 0.00 0.00 175.10 172.71 1k4l s THR 212 N -2.79 4.10 0.39 0.00 -4.23 -1.26 -0.86 115.64 111.00 1k4l s THR 212 Ca 0.25 -0.73 0.09 0.00 -1.18 0.00 0.00 61.69 60.12 1k4l s THR 212 Cb -0.02 -2.87 0.18 0.00 1.34 0.00 0.00 72.50 71.12 1k4l s THR 212 CO 0.17 0.29 1.94 0.40 -0.54 0.00 0.00 174.62 176.89 1k4l h ILE 213 N 3.30 1.16 -0.38 2.99 2.04 -1.40 -0.22 117.51 125.00 1k4l h ILE 213 Ca -0.48 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 64.77 1k4l h ILE 213 Cb 1.17 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.29 1k4l h ILE 213 CO 0.58 0.21 0.03 -0.08 0.00 0.00 0.00 178.15 178.90 1k4l h GLU 214 N 0.28 0.14 -0.08 2.37 4.81 -1.94 0.34 114.58 120.50 1k4l h GLU 214 Ca 0.06 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 1k4l h GLU 214 Cb 0.30 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1k4l h GLU 214 CO 0.01 0.09 -0.42 -0.44 -0.73 0.00 0.00 179.01 177.53 1k4l h ASP 215 N 0.15 0.19 -0.96 1.04 3.32 -1.63 -1.16 116.42 117.36 1k4l h ASP 215 Ca 0.19 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.20 1k4l h ASP 215 Cb 0.25 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 1k4l h ASP 215 CO -0.28 0.59 0.63 -0.03 -1.72 0.00 0.00 179.24 178.43 1k4l h MET 216 N 0.15 1.15 -0.21 3.56 4.05 0.62 0.14 114.93 124.39 1k4l h MET 216 Ca 0.01 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.31 1k4l h MET 216 Cb 0.81 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 1k4l h MET 216 CO 0.06 0.76 -0.09 0.82 0.23 0.00 0.00 176.91 178.69 1k4l h ILE 217 N 1.18 1.30 -0.90 1.77 2.04 0.13 -1.98 117.51 121.06 1k4l h ILE 217 Ca 0.39 -1.14 0.10 0.00 1.00 0.00 0.00 64.86 65.22 1k4l h ILE 217 Cb 0.07 1.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 1k4l h ILE 217 CO -0.13 0.35 0.58 0.00 0.00 0.00 0.00 178.15 178.94 1k4l h ALA 218 N 0.71 1.66 0.66 1.87 0.00 -0.58 0.15 119.26 123.73 1k4l h ALA 218 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1k4l h ALA 218 Cb 0.57 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1k4l h ALA 218 CO 0.03 0.15 -0.32 1.25 0.00 0.00 0.00 179.25 180.36 1k4l h HIS 219 N 0.86 -0.82 -0.87 0.00 -0.00 -0.66 -2.96 115.15 110.71 1k4l h HIS 219 Ca 0.42 -0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.85 1k4l h HIS 219 Cb 0.46 0.27 -0.07 0.00 -0.00 0.00 0.00 27.41 28.07 1k4l h HIS 219 CO -0.00 -0.50 0.52 0.28 -0.00 0.00 0.00 177.93 178.23 1k4l h VAL 220 N -0.90 0.98 -0.32 5.26 2.07 -0.73 -1.03 116.25 121.58 1k4l h VAL 220 Ca -0.09 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.21 1k4l h VAL 220 Cb 0.68 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1k4l h VAL 220 CO 0.15 0.17 0.29 -0.33 0.02 0.00 0.00 177.57 177.86 1k4l h GLU 221 N 0.91 0.00 -0.41 1.57 5.08 -0.58 0.12 114.58 121.28 1k4l h GLU 221 Ca 0.40 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.79 1k4l h GLU 221 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1k4l h GLU 221 CO -0.21 0.00 0.27 0.87 -1.00 0.00 0.00 179.01 178.94 1k4l h LYS 222 N 0.00 0.45 0.03 2.33 1.57 -1.02 0.28 116.57 120.20 1k4l h LYS 222 Ca 0.15 -0.03 -0.39 0.00 -1.87 0.00 0.00 60.65 58.52 1k4l h LYS 222 Cb 0.72 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 1k4l h LYS 222 CO -0.00 0.30 -2.36 2.41 -0.57 0.00 0.00 179.45 179.22 1k4l n THR 223 N -4.48 1.56 1.01 -0.16 -1.04 -0.47 -4.67 114.28 106.03 1k4l n THR 223 Ca 0.04 -0.58 0.11 0.00 -2.04 0.00 0.00 64.05 61.58 1k4l n THR 223 Cb 0.13 -1.51 0.03 0.00 -1.82 0.00 0.00 70.33 67.17 1k4l n THR 223 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1k4l n GLU 224 N -3.35 0.07 -0.10 -2.82 -0.58 0.31 -5.10 120.64 109.07 1k4l n GLU 224 Ca -0.43 -0.05 0.01 0.00 -0.42 0.00 0.00 57.16 56.27 1k4l n GLU 224 Cb 1.00 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 30.36 1k4l n GLU 224 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k4l n GLY 225 N 1.49 -1.97 3.73 0.62 0.00 0.96 -4.81 105.19 105.22 1k4l n GLY 225 Ca 0.05 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1k4l n GLY 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k4l s LYS 226 N -2.05 4.55 0.00 1.61 1.02 -1.26 -4.53 119.74 119.07 1k4l s LYS 226 Ca 0.00 1.73 0.00 0.00 0.02 0.00 0.00 55.97 57.72 1k4l s LYS 226 Cb 0.00 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 1k4l s LYS 226 CO 0.00 -0.02 0.35 -0.11 -0.92 0.00 0.00 175.35 174.64