#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3y s GLU 3 N 0.00 1.37 0.55 0.00 2.02 -1.26 -5.12 118.70 116.26 1k3y s GLU 3 Ca 0.00 -1.47 -0.21 0.00 0.02 0.00 0.00 54.97 53.31 1k3y s GLU 3 Cb 0.00 -1.48 -0.05 0.00 0.10 0.00 0.00 34.13 32.70 1k3y s GLU 3 CO 0.00 0.30 1.33 0.15 0.02 0.00 0.00 175.26 177.07 1k3y s LYS 4 N -2.85 3.13 0.50 1.61 1.02 -1.26 -4.76 119.74 117.13 1k3y s LYS 4 Ca 0.18 2.17 -0.22 0.00 0.02 0.00 0.00 55.97 58.12 1k3y s LYS 4 Cb -0.06 -2.22 -0.07 0.00 -0.52 0.00 0.00 37.83 34.96 1k3y s LYS 4 CO 0.08 -1.18 1.13 -2.30 -0.92 0.00 0.00 175.35 172.16 1k3y n PRO 5 N -1.09 1.42 -4.38 -1.68 -0.02 -1.26 -4.76 135.00 123.23 1k3y n PRO 5 Ca 0.11 0.52 -0.32 0.00 -2.02 0.00 0.00 63.50 61.78 1k3y n PRO 5 Cb 0.46 -2.27 -0.16 0.00 -0.02 0.00 0.00 33.50 31.50 1k3y n PRO 5 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1k3y s LYS 6 N -2.47 2.93 -0.29 -0.52 2.20 -0.24 -0.92 119.74 120.43 1k3y s LYS 6 Ca 0.68 -0.81 -0.12 0.00 -0.36 0.00 0.00 55.97 55.36 1k3y s LYS 6 Cb -0.47 -2.45 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 1k3y s LYS 6 CO 0.53 -0.12 0.24 -0.51 -0.36 0.00 0.00 175.35 175.13 1k3y s LEU 7 N 1.07 4.09 -0.35 5.43 1.43 0.12 -0.65 118.68 129.81 1k3y s LEU 7 Ca -0.01 0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 1k3y s LEU 7 Cb -0.14 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.90 1k3y s LEU 7 CO -0.07 -0.10 0.19 -1.00 0.23 0.00 0.00 176.35 175.59 1k3y s HIS 8 N 1.83 3.22 0.25 0.29 3.76 0.28 -1.03 115.29 123.89 1k3y s HIS 8 Ca 0.09 -0.81 -0.20 0.00 -0.15 0.00 0.00 55.06 53.98 1k3y s HIS 8 Cb -0.16 -2.41 0.06 0.00 1.11 0.00 0.00 32.58 31.18 1k3y s HIS 8 CO 0.11 -0.58 0.92 -0.47 -0.85 0.00 0.00 174.74 173.87 1k3y s TYR 9 N 1.58 0.03 0.75 1.40 5.04 -1.19 -2.75 117.35 122.21 1k3y s TYR 9 Ca 0.03 -0.51 -0.08 0.00 -2.44 0.00 0.00 57.07 54.06 1k3y s TYR 9 Cb -0.18 0.74 0.08 0.00 0.35 0.00 0.00 41.96 42.94 1k3y s TYR 9 CO 0.07 -1.14 1.08 -0.59 -1.34 0.00 0.00 175.55 173.62 1k3y s PHE 10 N -2.54 2.79 -1.27 4.97 -0.00 -1.26 -1.07 117.98 119.59 1k3y s PHE 10 Ca 0.17 0.48 -0.15 0.00 -0.00 0.00 0.00 56.93 57.44 1k3y s PHE 10 Cb -0.03 -3.33 0.12 0.00 -0.00 0.00 0.00 43.02 39.78 1k3y s PHE 10 CO 0.07 -1.60 1.64 -1.71 -0.00 0.00 0.00 175.22 173.63 1k3y n ASN 11 N -3.07 5.02 -3.66 1.98 2.85 -1.26 -4.81 115.26 112.31 1k3y n ASN 11 Ca 0.09 -2.96 -0.04 0.00 -0.11 0.00 0.00 54.58 51.56 1k3y n ASN 11 Cb 0.61 -1.64 -0.01 0.00 1.24 0.00 0.00 39.78 39.97 1k3y n ASN 11 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1k3y s ALA 12 N 2.63 -1.81 0.00 5.20 0.00 -1.26 -5.05 121.76 121.47 1k3y s ALA 12 Ca 0.47 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1k3y s ALA 12 Cb 0.02 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1k3y s ALA 12 CO 0.03 -0.93 0.94 0.54 0.00 0.00 0.00 175.76 176.34 1k3y n ARG 13 N -0.39 0.00 0.00 0.00 1.74 -1.26 -4.73 116.66 112.02 1k3y n ARG 13 Ca -0.07 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1k3y n ARG 13 Cb 0.61 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 1k3y n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k3y n GLY 14 N -0.83 2.17 0.57 -0.13 0.00 -1.26 -1.72 105.19 103.99 1k3y n GLY 14 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1k3y n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k3y n ARG 15 N 13.72 1.76 -0.01 1.61 1.74 -1.26 -3.91 116.66 130.31 1k3y n ARG 15 Ca 0.00 -1.13 0.10 0.00 -0.77 0.00 0.00 57.85 56.06 1k3y n ARG 15 Cb 0.00 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 29.87 1k3y n ARG 15 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1k3y n MET 16 N 0.35 0.53 0.03 5.56 1.56 -0.90 -4.60 117.12 119.65 1k3y n MET 16 Ca 0.17 -0.14 -0.00 0.00 -0.27 0.00 0.00 57.70 57.46 1k3y n MET 16 Cb 0.35 -1.49 0.30 0.00 2.15 0.00 0.00 33.22 34.53 1k3y n MET 16 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1k3y h GLU 17 N 0.00 0.46 0.00 2.12 4.57 -1.45 -1.84 114.58 118.44 1k3y h GLU 17 Ca 0.00 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 57.99 1k3y h GLU 17 Cb 0.83 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 1k3y h GLU 17 CO 0.00 0.54 -0.36 0.66 -1.18 0.00 0.00 179.01 178.66 1k3y h SER 18 N 0.43 0.00 -0.26 1.04 4.64 -1.85 -1.13 113.55 116.42 1k3y h SER 18 Ca 0.09 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.29 1k3y h SER 18 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1k3y h SER 18 CO 0.02 0.36 -0.29 0.74 -0.87 0.00 0.00 176.83 176.79 1k3y h THR 19 N 0.00 1.31 -0.46 2.95 2.02 -1.65 -1.38 112.91 115.70 1k3y h THR 19 Ca -0.00 -1.47 0.03 0.00 0.77 0.00 0.00 66.41 65.74 1k3y h THR 19 Cb 0.67 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.70 1k3y h THR 19 CO 0.05 0.46 0.24 0.03 0.37 0.00 0.00 175.52 176.67 1k3y h ARG 20 N 0.37 0.46 -0.45 6.66 3.08 -0.93 -0.96 114.38 122.62 1k3y h ARG 20 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1k3y h ARG 20 Cb 0.86 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1k3y h ARG 20 CO 0.07 0.31 0.28 -1.49 -1.07 0.00 0.00 179.97 178.07 1k3y h TRP 21 N 0.48 0.58 -0.34 3.04 4.06 -1.17 -1.08 115.95 121.51 1k3y h TRP 21 Ca 0.20 0.01 -0.07 0.00 2.06 0.00 0.00 58.89 61.08 1k3y h TRP 21 Cb 0.09 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 1k3y h TRP 21 CO -0.09 0.39 -0.07 1.25 -3.56 0.00 0.00 178.44 176.36 1k3y h LEU 22 N 0.60 0.65 -0.35 -4.49 5.85 -0.88 0.21 115.31 116.91 1k3y h LEU 22 Ca 0.16 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1k3y h LEU 22 Cb -0.03 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1k3y h LEU 22 CO -0.03 0.86 0.15 -0.07 -0.34 0.00 0.00 178.44 179.00 1k3y h LEU 23 N 0.44 0.47 -0.68 2.25 3.38 -1.17 -1.27 115.31 118.73 1k3y h LEU 23 Ca 0.09 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1k3y h LEU 23 Cb 0.56 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1k3y h LEU 23 CO 0.03 0.50 0.45 0.00 0.09 0.00 0.00 178.44 179.50 1k3y h ALA 24 N 0.99 0.86 -0.38 1.53 0.00 -1.06 -1.50 119.26 119.71 1k3y h ALA 24 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1k3y h ALA 24 Cb 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1k3y h ALA 24 CO -0.01 0.29 0.16 0.00 0.00 0.00 0.00 179.25 179.69 1k3y h ALA 25 N 1.25 1.57 0.00 0.00 0.00 -0.70 -0.81 119.26 120.58 1k3y h ALA 25 Ca 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1k3y h ALA 25 Cb -0.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1k3y h ALA 25 CO -0.05 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1k3y n ALA 26 N -2.48 2.29 -0.86 0.00 0.00 -0.50 -4.75 120.51 114.21 1k3y n ALA 26 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1k3y n ALA 26 Cb 0.13 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1k3y n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k3y n GLY 27 N 1.15 0.47 3.56 0.00 0.00 -0.31 -5.03 105.19 105.02 1k3y n GLY 27 Ca 0.10 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 1k3y n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3y s VAL 28 N -2.00 5.27 0.37 1.61 1.01 -0.62 -5.03 120.40 121.01 1k3y s VAL 28 Ca 0.00 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 1k3y s VAL 28 Cb 0.00 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 1k3y s VAL 28 CO 0.00 0.10 1.12 -0.70 0.00 0.00 0.00 175.10 175.62 1k3y s GLU 29 N 1.80 4.22 0.15 2.72 2.12 -1.26 -4.35 118.70 124.10 1k3y s GLU 29 Ca 0.08 1.75 -0.01 0.00 0.36 0.00 0.00 54.97 57.15 1k3y s GLU 29 Cb -0.17 -2.76 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 1k3y s GLU 29 CO 0.11 -0.15 0.07 -0.59 -0.54 0.00 0.00 175.26 174.16 1k3y s PHE 30 N -1.42 0.97 0.13 5.30 -0.12 -1.26 -4.21 117.98 117.38 1k3y s PHE 30 Ca 0.54 -1.27 0.07 0.00 -0.05 0.00 0.00 56.93 56.23 1k3y s PHE 30 Cb -0.29 -0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 41.54 1k3y s PHE 30 CO 0.36 -0.53 -0.05 -1.21 -0.05 0.00 0.00 175.22 173.74 1k3y s GLU 31 N -4.07 2.30 0.02 1.99 2.02 -0.10 -4.99 118.70 115.87 1k3y s GLU 31 Ca 0.29 -1.03 0.09 0.00 0.02 0.00 0.00 54.97 54.33 1k3y s GLU 31 Cb 0.07 -2.36 -0.03 0.00 0.10 0.00 0.00 34.13 31.92 1k3y s GLU 31 CO 0.05 0.49 -0.25 -1.21 0.02 0.00 0.00 175.26 174.36 1k3y s GLU 32 N -2.52 1.82 -0.30 1.61 2.02 -1.26 -0.70 118.70 119.37 1k3y s GLU 32 Ca 0.25 -1.02 0.03 0.00 0.02 0.00 0.00 54.97 54.25 1k3y s GLU 32 Cb -0.10 -1.91 0.08 0.00 0.10 0.00 0.00 34.13 32.29 1k3y s GLU 32 CO 0.16 0.50 -0.01 0.21 0.02 0.00 0.00 175.26 176.14 1k3y s LYS 33 N -1.02 1.73 -0.10 1.61 2.20 -0.20 -4.90 119.74 119.06 1k3y s LYS 33 Ca 0.11 -1.58 -0.23 0.00 -0.36 0.00 0.00 55.97 53.91 1k3y s LYS 33 Cb -0.10 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.21 1k3y s LYS 33 CO 0.01 -0.78 0.70 -0.06 -0.36 0.00 0.00 175.35 174.86 1k3y s PHE 34 N 1.05 3.52 -0.05 4.03 0.08 -1.26 -3.15 117.98 122.19 1k3y s PHE 34 Ca 0.02 1.19 -0.30 0.00 0.12 0.00 0.00 56.93 57.96 1k3y s PHE 34 Cb -0.19 -2.83 -0.03 0.00 -0.57 0.00 0.00 43.02 39.40 1k3y s PHE 34 CO -0.08 -0.00 1.13 0.42 -0.10 0.00 0.00 175.22 176.59 1k3y s ILE 35 N 1.18 4.43 -0.35 0.64 1.01 -0.24 -4.94 121.20 122.94 1k3y s ILE 35 Ca 0.36 1.74 0.08 0.00 0.00 0.00 0.00 60.65 62.82 1k3y s ILE 35 Cb -0.17 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.10 1k3y s ILE 35 CO 0.16 0.02 0.32 0.29 0.00 0.00 0.00 174.94 175.73 1k3y n LYS 36 N 4.92 4.41 -3.93 2.79 4.76 -1.26 -4.30 118.16 125.54 1k3y n LYS 36 Ca 0.10 -0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.45 1k3y n LYS 36 Cb 0.47 -0.87 -0.03 0.00 -1.84 0.00 0.00 35.03 32.76 1k3y n LYS 36 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1k3y s SER 37 N -1.74 -0.13 0.31 4.39 1.04 -1.26 -4.93 113.70 111.38 1k3y s SER 37 Ca 0.03 -0.82 0.02 0.00 0.48 0.00 0.00 55.95 55.65 1k3y s SER 37 Cb 0.06 0.66 0.57 0.00 0.10 0.00 0.00 66.02 67.41 1k3y s SER 37 CO 0.31 -1.26 1.91 0.00 0.98 0.00 0.00 173.24 175.19 1k3y h ALA 38 N 2.13 1.55 -0.89 5.32 0.00 -1.74 -2.41 119.26 123.22 1k3y h ALA 38 Ca -0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1k3y h ALA 38 Cb 1.25 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1k3y h ALA 38 CO 0.30 0.31 0.50 0.93 0.00 0.00 0.00 179.25 181.30 1k3y h GLU 39 N 0.98 1.24 -0.57 0.00 3.07 -1.93 0.21 114.58 117.57 1k3y h GLU 39 Ca 0.38 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1k3y h GLU 39 Cb 0.23 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 1k3y h GLU 39 CO -0.15 0.89 0.36 -0.44 -1.40 0.00 0.00 179.01 178.28 1k3y h ASP 40 N 1.24 0.67 -0.43 1.42 3.32 -1.85 -0.66 116.42 120.14 1k3y h ASP 40 Ca 0.32 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 1k3y h ASP 40 Cb 0.00 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1k3y h ASP 40 CO -0.05 0.51 -0.09 0.25 -1.72 0.00 0.00 179.24 178.13 1k3y h LEU 41 N 0.77 0.83 -1.54 1.55 5.85 -0.96 -2.62 115.31 119.19 1k3y h LEU 41 Ca 0.21 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1k3y h LEU 41 Cb -0.06 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1k3y h LEU 41 CO -0.04 0.99 0.10 0.44 -0.34 0.00 0.00 178.44 179.59 1k3y h ASP 42 N 0.65 0.36 -0.38 1.25 3.32 -0.35 -1.36 116.42 119.91 1k3y h ASP 42 Ca 0.11 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1k3y h ASP 42 Cb 0.62 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1k3y h ASP 42 CO 0.04 0.35 -0.06 0.50 -1.72 0.00 0.00 179.24 178.35 1k3y h LYS 43 N 0.40 0.72 -0.77 3.56 1.63 -0.80 0.18 116.57 121.48 1k3y h LYS 43 Ca 0.10 -0.26 0.03 0.00 -0.85 0.00 0.00 60.65 59.67 1k3y h LYS 43 Cb 0.11 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.64 1k3y h LYS 43 CO -0.01 0.84 0.49 -0.07 -3.45 0.00 0.00 179.45 177.26 1k3y h LEU 44 N 0.53 0.81 -0.01 5.20 3.38 -1.06 -0.61 115.31 123.55 1k3y h LEU 44 Ca 0.10 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1k3y h LEU 44 Cb 0.56 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1k3y h LEU 44 CO 0.03 0.56 0.00 0.03 0.09 0.00 0.00 178.44 179.16 1k3y h ARG 45 N 0.96 0.01 0.00 1.13 3.08 -0.94 -2.07 114.38 116.55 1k3y h ARG 45 Ca 0.31 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 1k3y h ARG 45 Cb 0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1k3y h ARG 45 CO -0.11 0.10 -0.23 -0.91 -1.07 0.00 0.00 179.97 177.75 1k3y h ASN 46 N -0.08 0.00 0.40 7.04 2.35 -0.31 -1.93 115.58 123.05 1k3y h ASN 46 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1k3y h ASN 46 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1k3y h ASN 46 CO -0.00 0.23 -0.08 0.47 -1.65 0.00 0.00 177.43 176.40 1k3y n ASP 47 N -3.64 0.33 0.00 5.81 9.92 -0.27 -4.91 116.55 123.80 1k3y n ASP 47 Ca -0.01 -0.48 0.00 0.00 -0.53 0.00 0.00 54.79 53.77 1k3y n ASP 47 Cb 0.36 -0.12 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 1k3y n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k3y n GLY 48 N 1.27 0.70 0.00 0.44 0.00 -0.73 -4.97 105.19 101.91 1k3y n GLY 48 Ca 0.15 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1k3y n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1k3y n TYR 49 N -2.57 0.04 -3.93 1.61 4.01 -0.79 -4.77 117.16 110.76 1k3y n TYR 49 Ca 0.00 0.01 -0.30 0.00 -0.16 0.00 0.00 57.90 57.45 1k3y n TYR 49 Cb 0.00 -0.35 -0.15 0.00 -0.31 0.00 0.00 39.34 38.52 1k3y n TYR 49 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1k3y s LEU 50 N -3.09 3.10 0.29 7.72 1.43 -1.26 -4.91 118.68 121.96 1k3y s LEU 50 Ca 0.12 -1.51 0.01 0.00 -1.03 0.00 0.00 54.13 51.72 1k3y s LEU 50 Cb 0.18 -1.26 0.53 0.00 0.03 0.00 0.00 46.19 45.67 1k3y s LEU 50 CO 0.65 -0.30 1.88 -0.03 0.23 0.00 0.00 176.35 178.78 1k3y h MET 51 N 7.88 1.00 -0.21 1.70 1.85 -1.86 -0.94 114.93 124.35 1k3y h MET 51 Ca -0.14 -0.06 -0.02 0.00 -0.61 0.00 0.00 59.70 58.87 1k3y h MET 51 Cb 1.05 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 32.84 1k3y h MET 51 CO 0.45 0.66 -0.01 1.19 -0.40 0.00 0.00 176.91 178.80 1k3y n PHE 52 N -4.54 0.75 -1.49 1.39 3.72 -1.26 -4.96 117.46 111.08 1k3y n PHE 52 Ca 0.16 -1.00 -0.14 0.00 -0.05 0.00 0.00 57.45 56.42 1k3y n PHE 52 Cb 0.27 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 38.45 1k3y n PHE 52 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1k3y n GLN 53 N -0.80 -1.00 -4.38 -1.08 1.13 -0.36 -4.98 117.38 105.92 1k3y n GLN 53 Ca 0.22 0.97 -0.21 0.00 -1.94 0.00 0.00 57.00 56.04 1k3y n GLN 53 Cb 0.86 -5.09 -0.10 0.00 0.11 0.00 0.00 30.24 26.01 1k3y n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1k3y s GLN 54 N -3.33 1.41 0.26 -1.09 -0.21 -1.26 -4.98 119.66 110.45 1k3y s GLN 54 Ca 0.00 -1.59 0.10 0.00 0.02 0.00 0.00 55.36 53.89 1k3y s GLN 54 Cb 0.00 -1.35 -0.04 0.00 1.00 0.00 0.00 33.01 32.61 1k3y s GLN 54 CO 0.00 0.25 -0.02 0.14 -2.12 0.00 0.00 175.29 173.54 1k3y s VAL 55 N -2.60 3.39 0.45 1.09 -7.23 -1.26 -4.63 120.40 109.61 1k3y s VAL 55 Ca 0.23 -1.91 -0.24 0.00 -1.81 0.00 0.00 61.98 58.24 1k3y s VAL 55 Cb -0.03 -2.80 -0.09 0.00 0.56 0.00 0.00 36.38 34.02 1k3y s VAL 55 CO 0.09 -0.35 1.25 -2.65 -0.31 0.00 0.00 175.10 173.13 1k3y n PRO 56 N -0.79 1.81 -4.31 4.82 -0.02 -1.26 -5.00 135.00 130.24 1k3y n PRO 56 Ca -0.07 0.65 -0.19 0.00 -2.02 0.00 0.00 63.50 61.88 1k3y n PRO 56 Cb 0.59 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 31.53 1k3y n PRO 56 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1k3y s MET 57 N -2.32 0.73 -0.08 -0.52 1.75 -1.11 -3.83 119.30 113.92 1k3y s MET 57 Ca 0.63 -0.27 0.03 0.00 -1.25 0.00 0.00 55.69 54.83 1k3y s MET 57 Cb -0.49 -0.71 0.01 0.00 2.84 0.00 0.00 34.83 36.48 1k3y s MET 57 CO 0.56 0.13 -0.15 0.08 -0.65 0.00 0.00 175.02 174.99 1k3y s VAL 58 N 0.03 1.37 -0.27 10.11 1.01 0.16 -0.56 120.40 132.25 1k3y s VAL 58 Ca -0.00 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1k3y s VAL 58 Cb -0.06 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 1k3y s VAL 58 CO -0.00 0.41 0.64 -1.61 0.00 0.00 0.00 175.10 174.54 1k3y s GLU 59 N 0.64 4.07 -0.15 2.72 2.02 0.17 -0.97 118.70 127.20 1k3y s GLU 59 Ca -0.14 0.51 -0.11 0.00 0.02 0.00 0.00 54.97 55.25 1k3y s GLU 59 Cb -0.16 -3.67 0.05 0.00 0.10 0.00 0.00 34.13 30.45 1k3y s GLU 59 CO 0.04 -0.46 0.38 -1.50 0.02 0.00 0.00 175.26 173.74 1k3y s ILE 60 N 2.55 -0.02 -1.49 -1.63 2.07 -0.09 -1.08 121.20 121.51 1k3y s ILE 60 Ca 0.26 0.06 -0.10 0.00 -1.41 0.00 0.00 60.65 59.46 1k3y s ILE 60 Cb -0.15 -0.55 0.07 0.00 0.13 0.00 0.00 42.46 41.95 1k3y s ILE 60 CO 0.09 0.02 0.88 0.47 -1.91 0.00 0.00 174.94 174.50 1k3y n ASP 61 N 3.62 -3.71 -0.03 4.50 8.00 -1.26 -2.01 116.55 125.66 1k3y n ASP 61 Ca -0.19 -0.81 -0.00 0.00 0.71 0.00 0.00 54.79 54.49 1k3y n ASP 61 Cb 0.56 -3.81 -0.00 0.00 -0.02 0.00 0.00 41.12 37.85 1k3y n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k3y n GLY 62 N -1.67 0.46 3.14 0.44 0.00 -1.26 -5.00 105.19 101.31 1k3y n GLY 62 Ca -0.05 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 1k3y n GLY 62 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1k3y s MET 63 N -1.08 0.67 -0.23 1.61 0.23 -0.85 -5.14 119.30 114.50 1k3y s MET 63 Ca 0.00 -0.86 -0.09 0.00 -1.03 0.00 0.00 55.69 53.71 1k3y s MET 63 Cb 0.00 0.27 -0.04 0.00 -1.53 0.00 0.00 34.83 33.52 1k3y s MET 63 CO 0.00 -0.18 0.12 0.15 -2.03 0.00 0.00 175.02 173.08 1k3y s LYS 64 N -3.13 3.97 -0.10 3.16 1.02 -1.26 -0.92 119.74 122.49 1k3y s LYS 64 Ca -0.01 -0.32 0.04 0.00 0.02 0.00 0.00 55.97 55.70 1k3y s LYS 64 Cb 0.02 -3.44 -0.00 0.00 -0.52 0.00 0.00 37.83 33.89 1k3y s LYS 64 CO -0.07 0.05 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.67 1k3y s LEU 65 N 1.03 2.11 0.45 3.17 1.43 -0.14 -4.98 118.68 121.75 1k3y s LEU 65 Ca 0.06 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 1k3y s LEU 65 Cb -0.14 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 1k3y s LEU 65 CO 0.04 0.16 0.25 0.68 0.23 0.00 0.00 176.35 177.71 1k3y s VAL 66 N 0.32 2.12 0.01 -1.59 -7.23 -1.26 -0.67 120.40 112.11 1k3y s VAL 66 Ca -0.18 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1k3y s VAL 66 Cb -0.18 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.02 1k3y s VAL 66 CO 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.88 1k3y n GLN 67 N -1.41 -0.43 -0.31 4.82 1.13 -1.25 -4.47 117.38 115.46 1k3y n GLN 67 Ca -0.02 0.77 0.03 0.00 -1.94 0.00 0.00 57.00 55.84 1k3y n GLN 67 Cb 0.64 -0.63 0.11 0.00 0.11 0.00 0.00 30.24 30.47 1k3y n GLN 67 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1k3y h THR 68 N 0.35 0.12 -0.14 5.09 2.02 -1.90 -0.85 112.91 117.60 1k3y h THR 68 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1k3y h THR 68 Cb 0.00 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 1k3y h THR 68 CO 0.00 0.00 -0.48 0.03 0.37 0.00 0.00 175.52 175.44 1k3y h ARG 69 N -0.01 0.37 -0.39 6.66 3.08 -1.97 -0.26 114.38 121.86 1k3y h ARG 69 Ca 0.41 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1k3y h ARG 69 Cb 0.64 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1k3y h ARG 69 CO -0.90 0.77 0.18 0.00 -1.07 0.00 0.00 179.97 178.95 1k3y h ALA 70 N 1.20 0.50 0.05 0.04 0.00 -1.43 -0.29 119.26 119.32 1k3y h ALA 70 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1k3y h ALA 70 Cb 0.96 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1k3y h ALA 70 CO 0.08 0.08 -0.09 0.82 0.00 0.00 0.00 179.25 180.14 1k3y h ILE 71 N 0.49 0.78 -0.60 0.00 2.04 -1.09 -2.24 117.51 116.88 1k3y h ILE 71 Ca 0.13 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 1k3y h ILE 71 Cb 0.14 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1k3y h ILE 71 CO -0.01 0.00 0.17 -0.07 0.00 0.00 0.00 178.15 178.23 1k3y h LEU 72 N -0.18 0.90 -0.59 1.44 3.38 -0.99 -1.74 115.31 117.52 1k3y h LEU 72 Ca 0.02 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1k3y h LEU 72 Cb 0.20 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1k3y h LEU 72 CO -0.05 0.88 0.38 0.78 0.09 0.00 0.00 178.44 180.52 1k3y h ASN 73 N 0.87 0.70 0.28 -0.43 2.35 -1.00 0.32 115.58 118.67 1k3y h ASN 73 Ca 0.19 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1k3y h ASN 73 Cb 0.32 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1k3y h ASN 73 CO -0.00 0.53 -0.14 0.22 -1.65 0.00 0.00 177.43 176.39 1k3y h TYR 74 N 0.80 -0.35 -0.75 1.19 3.20 -1.19 -0.96 116.97 118.91 1k3y h TYR 74 Ca 0.22 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 1k3y h TYR 74 Cb -0.06 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1k3y h TYR 74 CO -0.03 -0.16 0.44 0.82 -1.64 0.00 0.00 178.16 177.59 1k3y h ILE 75 N -0.47 1.22 -0.45 1.81 2.04 -1.17 0.28 117.51 120.78 1k3y h ILE 75 Ca -0.04 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1k3y h ILE 75 Cb 0.35 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1k3y h ILE 75 CO 0.06 0.24 0.18 0.00 0.00 0.00 0.00 178.15 178.63 1k3y h ALA 76 N 1.23 0.59 -0.35 1.87 0.00 -0.85 -1.89 119.26 119.86 1k3y h ALA 76 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1k3y h ALA 76 Cb -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1k3y h ALA 76 CO -0.05 0.20 0.18 0.77 0.00 0.00 0.00 179.25 180.35 1k3y h SER 77 N 0.59 0.44 -1.00 0.00 0.02 -0.87 0.69 113.55 113.42 1k3y h SER 77 Ca 0.15 -0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1k3y h SER 77 Cb 0.20 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 1k3y h SER 77 CO -0.01 0.42 0.65 0.50 -1.14 0.00 0.00 176.83 177.25 1k3y h LYS 78 N 0.43 1.21 -0.50 3.45 3.64 -0.68 -2.82 116.57 121.29 1k3y h LYS 78 Ca 0.12 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1k3y h LYS 78 Cb 0.08 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1k3y h LYS 78 CO -0.02 0.80 0.02 0.66 -2.27 0.00 0.00 179.45 178.64 1k3y n TYR 79 N -4.46 1.82 -3.54 1.91 4.01 -0.73 -4.95 117.16 111.21 1k3y n TYR 79 Ca 0.14 -0.81 -0.22 0.00 -0.16 0.00 0.00 57.90 56.86 1k3y n TYR 79 Cb 0.12 -0.48 0.08 0.00 -0.31 0.00 0.00 39.34 38.75 1k3y n TYR 79 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1k3y n ASN 80 N 0.26 -4.93 -0.46 7.72 3.02 -0.97 -4.90 115.26 115.00 1k3y n ASN 80 Ca 0.27 -0.57 0.09 0.00 -0.03 0.00 0.00 54.58 54.35 1k3y n ASN 80 Cb 1.14 -5.07 0.20 0.00 -0.61 0.00 0.00 39.78 35.43 1k3y n ASN 80 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1k3y n LEU 81 N -4.72 3.08 -0.99 3.41 4.77 0.20 -4.63 117.00 118.12 1k3y n LEU 81 Ca -0.09 -3.03 0.02 0.00 -0.03 0.00 0.00 56.01 52.87 1k3y n LEU 81 Cb 0.60 -0.48 0.15 0.00 -2.33 0.00 0.00 43.42 41.36 1k3y n LEU 81 CO 0.64 0.69 0.28 0.00 -1.33 0.00 0.00 177.39 177.67 1k3y n TYR 82 N -0.97 0.38 -0.09 -1.77 4.19 -1.19 -0.44 117.16 117.26 1k3y n TYR 82 Ca 0.18 -1.45 0.01 0.00 3.31 0.00 0.00 57.90 59.96 1k3y n TYR 82 Cb 0.75 -0.24 -0.00 0.00 0.49 0.00 0.00 39.34 40.34 1k3y n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1k3y n GLY 83 N -0.79 -1.38 0.06 2.98 0.00 -1.26 -4.34 105.19 100.46 1k3y n GLY 83 Ca 0.20 -1.51 0.05 0.00 0.00 0.00 0.00 46.02 44.76 1k3y n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1k3y n LYS 84 N -1.35 3.18 -3.85 1.61 2.85 -1.26 -4.95 118.16 114.39 1k3y n LYS 84 Ca 0.00 -0.15 -0.04 0.00 -1.05 0.00 0.00 58.31 57.07 1k3y n LYS 84 Cb 0.04 -1.02 0.01 0.00 -0.65 0.00 0.00 35.03 33.41 1k3y n LYS 84 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1k3y s ASP 85 N -1.87 -0.02 0.33 -5.58 1.47 -1.26 -5.04 116.67 104.71 1k3y s ASP 85 Ca 0.05 -0.73 0.05 0.00 1.18 0.00 0.00 52.55 53.11 1k3y s ASP 85 Cb 0.08 0.57 0.60 0.00 -0.34 0.00 0.00 42.92 43.83 1k3y s ASP 85 CO 0.40 -1.12 1.84 -0.29 0.68 0.00 0.00 175.17 176.68 1k3y h ILE 86 N 2.00 1.22 -0.11 2.11 2.10 -1.97 -0.95 117.51 121.91 1k3y h ILE 86 Ca -0.28 -0.95 -0.23 0.00 1.08 0.00 0.00 64.86 64.48 1k3y h ILE 86 Cb 1.23 1.16 0.01 0.00 -1.09 0.00 0.00 36.82 38.13 1k3y h ILE 86 CO 0.35 0.31 -0.84 0.11 -1.08 0.00 0.00 178.15 176.99 1k3y h LYS 87 N 0.39 0.73 -0.66 2.19 1.57 -1.99 -1.17 116.57 117.63 1k3y h LYS 87 Ca 0.08 -0.64 -0.08 0.00 -1.87 0.00 0.00 60.65 58.13 1k3y h LYS 87 Cb 0.45 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1k3y h LYS 87 CO 0.03 1.25 0.10 0.93 -0.57 0.00 0.00 179.45 181.18 1k3y h GLU 88 N 0.48 1.10 -0.49 3.15 5.08 -1.86 -2.16 114.58 119.87 1k3y h GLU 88 Ca -0.07 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1k3y h GLU 88 Cb 1.47 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 1k3y h GLU 88 CO 0.17 1.01 0.22 0.00 -1.00 0.00 0.00 179.01 179.41 1k3y h ARG 89 N 1.02 0.69 -0.65 2.33 3.08 -1.10 -0.42 114.38 119.33 1k3y h ARG 89 Ca 0.20 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 1k3y h ARG 89 Cb 0.45 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1k3y h ARG 89 CO 0.01 0.55 0.15 0.00 -1.07 0.00 0.00 179.97 179.61 1k3y h ALA 90 N 1.56 0.86 -0.05 0.04 0.00 -0.79 0.21 119.26 121.08 1k3y h ALA 90 Ca 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1k3y h ALA 90 Cb 0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1k3y h ALA 90 CO -0.02 0.59 0.03 -0.07 0.00 0.00 0.00 179.25 179.77 1k3y h LEU 91 N 0.97 0.06 -0.25 0.00 3.38 -1.02 -1.10 115.31 117.35 1k3y h LEU 91 Ca 0.20 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1k3y h LEU 91 Cb 0.38 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1k3y h LEU 91 CO 0.00 0.13 0.03 0.40 0.09 0.00 0.00 178.44 179.10 1k3y h ILE 92 N -0.01 0.87 -0.71 1.22 2.04 -0.88 -0.75 117.51 119.28 1k3y h ILE 92 Ca 0.02 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1k3y h ILE 92 Cb 0.08 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1k3y h ILE 92 CO -0.00 0.02 0.36 0.44 0.00 0.00 0.00 178.15 178.97 1k3y h ASP 93 N 0.12 0.91 -0.33 1.72 3.32 -0.51 0.87 116.42 122.52 1k3y h ASP 93 Ca 0.12 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1k3y h ASP 93 Cb 0.13 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1k3y h ASP 93 CO -0.16 0.77 0.17 -0.03 -1.72 0.00 0.00 179.24 178.26 1k3y h MET 94 N 0.98 0.34 -0.29 3.56 4.05 -0.84 -0.85 114.93 121.89 1k3y h MET 94 Ca 0.24 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.61 1k3y h MET 94 Cb 0.09 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1k3y h MET 94 CO -0.03 0.23 0.06 1.88 0.23 0.00 0.00 176.91 179.27 1k3y h TYR 95 N 0.35 0.50 0.00 1.39 0.05 -0.65 -2.46 116.97 116.15 1k3y h TYR 95 Ca 0.13 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 1k3y h TYR 95 Cb 0.04 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.64 1k3y h TYR 95 CO -0.09 0.55 -0.09 -0.84 -1.05 0.00 0.00 178.16 176.64 1k3y h ILE 96 N 0.30 0.17 0.00 -2.88 3.07 -0.69 -1.90 117.51 115.57 1k3y h ILE 96 Ca 0.09 -1.02 -0.16 0.00 1.55 0.00 0.00 64.86 65.32 1k3y h ILE 96 Cb 0.32 1.89 -0.02 0.00 -0.27 0.00 0.00 36.82 38.73 1k3y h ILE 96 CO 0.00 0.08 -0.77 -0.33 -1.05 0.00 0.00 178.15 176.08 1k3y h GLU 97 N 0.00 0.00 -0.33 0.16 4.39 -1.06 0.12 114.58 117.85 1k3y h GLU 97 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1k3y h GLU 97 Cb 0.88 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 1k3y h GLU 97 CO 0.01 0.77 0.15 0.78 -1.16 0.00 0.00 179.01 179.56 1k3y h GLY 98 N 2.68 0.52 0.78 -3.84 0.00 -1.02 -1.57 103.07 100.63 1k3y h GLY 98 Ca -0.01 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.09 1k3y h GLY 98 CO 0.10 0.26 0.40 -2.22 0.00 0.00 0.00 176.54 175.08 1k3y h ILE 99 N 0.40 1.03 -0.69 2.60 2.04 -1.22 -2.00 117.51 119.67 1k3y h ILE 99 Ca 0.11 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1k3y h ILE 99 Cb 0.15 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1k3y h ILE 99 CO -0.01 0.14 0.45 0.00 0.00 0.00 0.00 178.15 178.73 1k3y h ALA 100 N 1.32 0.88 -0.35 1.87 0.00 -0.59 0.21 119.26 122.60 1k3y h ALA 100 Ca 0.29 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1k3y h ALA 100 Cb 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1k3y h ALA 100 CO -0.14 0.32 0.22 -0.44 0.00 0.00 0.00 179.25 179.21 1k3y h ASP 101 N 0.94 0.36 -0.30 0.00 3.32 -0.87 0.20 116.42 120.08 1k3y h ASP 101 Ca 0.25 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 1k3y h ASP 101 Cb -0.08 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1k3y h ASP 101 CO -0.05 0.26 -0.01 0.25 -1.72 0.00 0.00 179.24 177.97 1k3y h LEU 102 N 0.44 0.52 -1.16 1.55 5.85 -1.13 -2.82 115.31 118.57 1k3y h LEU 102 Ca 0.14 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.60 1k3y h LEU 102 Cb -0.02 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1k3y h LEU 102 CO -0.05 0.71 0.58 1.23 -0.34 0.00 0.00 178.44 180.57 1k3y h GLY 103 N 0.32 1.28 1.22 3.75 0.00 -0.28 -1.93 103.07 107.44 1k3y h GLY 103 Ca 0.08 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 1k3y h GLY 103 CO 0.02 0.31 0.01 -2.09 0.00 0.00 0.00 176.54 174.79 1k3y h GLU 104 N 1.03 0.94 -0.53 4.80 4.57 -0.52 0.53 114.58 125.40 1k3y h GLU 104 Ca 0.38 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1k3y h GLU 104 Cb 0.16 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1k3y h GLU 104 CO -0.13 0.92 0.28 0.52 -1.18 0.00 0.00 179.01 179.42 1k3y h MET 105 N 0.87 0.75 -0.54 1.92 2.86 -1.11 -1.94 114.93 117.74 1k3y h MET 105 Ca 0.16 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1k3y h MET 105 Cb 0.50 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1k3y h MET 105 CO 0.02 0.59 -0.07 0.82 1.06 0.00 0.00 176.91 179.33 1k3y h ILE 106 N 0.71 1.27 -0.85 -1.22 2.04 -1.07 -2.52 117.51 115.87 1k3y h ILE 106 Ca 0.19 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 1k3y h ILE 106 Cb 0.07 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1k3y h ILE 106 CO -0.03 0.43 0.50 0.25 0.00 0.00 0.00 178.15 179.30 1k3y h LEU 107 N 0.87 1.04 -0.62 1.44 5.85 -0.61 -2.87 115.31 120.40 1k3y h LEU 107 Ca 0.14 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1k3y h LEU 107 Cb 0.63 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1k3y h LEU 107 CO 0.04 0.81 -0.29 0.18 -0.34 0.00 0.00 178.44 178.84 1k3y n LEU 108 N -4.41 1.25 -0.21 2.25 4.77 -0.75 -4.39 117.00 115.51 1k3y n LEU 108 Ca 0.09 -0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 55.65 1k3y n LEU 108 Cb 0.07 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1k3y n LEU 108 CO 0.38 0.23 0.64 0.25 -1.33 0.00 0.00 177.39 177.57 1k3y h LEU 109 N 1.51 -1.07 -0.16 2.23 5.85 -1.21 -0.85 115.31 121.61 1k3y h LEU 109 Ca 0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1k3y h LEU 109 Cb 0.56 0.55 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1k3y h LEU 109 CO 0.00 -0.29 0.00 -0.81 -0.34 0.00 0.00 178.44 177.00 1k3y n PRO 110 N -5.44 0.02 -0.34 5.25 -0.04 -1.26 -0.88 135.00 132.31 1k3y n PRO 110 Ca 0.05 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 1k3y n PRO 110 Cb 0.36 -1.56 0.30 0.00 -0.04 0.00 0.00 33.50 32.56 1k3y n PRO 110 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1k3y n VAL 111 N -1.61 0.90 -2.65 0.52 0.24 -0.33 -4.90 118.33 110.51 1k3y n VAL 111 Ca 0.01 -0.92 -0.38 0.00 -2.04 0.00 0.00 64.34 61.01 1k3y n VAL 111 Cb 0.08 0.50 -0.05 0.00 -1.47 0.00 0.00 33.84 32.90 1k3y n VAL 111 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k3y n PRO 113 N 0.79 1.08 -0.35 0.00 -0.02 -1.26 -4.75 135.00 130.49 1k3y n PRO 113 Ca 0.01 0.39 0.08 0.00 -2.02 0.00 0.00 63.50 61.96 1k3y n PRO 113 Cb 0.48 -1.93 0.25 0.00 -0.02 0.00 0.00 33.50 32.28 1k3y n PRO 113 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1k3y h PRO 114 N 1.18 0.90 0.00 0.52 0.11 -1.96 0.80 132.00 133.55 1k3y h PRO 114 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1k3y h PRO 114 Cb 1.36 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1k3y h PRO 114 CO 0.54 0.59 0.00 0.93 -0.21 0.00 0.00 178.00 179.86 1k3y h GLU 115 N 0.92 0.00 -0.02 1.05 4.39 -2.03 -2.33 114.58 116.56 1k3y h GLU 115 Ca 0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.21 1k3y h GLU 115 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1k3y h GLU 115 CO -0.29 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 177.95 1k3y n GLU 116 N -3.04 0.48 -0.23 2.33 1.02 0.25 -4.67 120.64 116.77 1k3y n GLU 116 Ca -0.02 -1.13 -0.08 0.00 -0.02 0.00 0.00 57.16 55.92 1k3y n GLU 116 Cb 0.13 -1.19 0.05 0.00 -0.02 0.00 0.00 31.44 30.41 1k3y n GLU 116 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1k3y h LYS 117 N 1.93 1.10 -0.52 3.49 3.64 -1.09 -1.35 116.57 123.77 1k3y h LYS 117 Ca 0.00 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1k3y h LYS 117 Cb 0.42 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1k3y h LYS 117 CO 0.00 1.01 0.27 -0.44 -2.27 0.00 0.00 179.45 178.02 1k3y h ASP 118 N 1.03 0.66 0.23 4.20 3.32 -1.83 0.35 116.42 124.37 1k3y h ASP 118 Ca 0.20 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1k3y h ASP 118 Cb 0.45 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1k3y h ASP 118 CO 0.01 0.59 -0.44 0.00 -1.72 0.00 0.00 179.24 177.68 1k3y h ALA 119 N 1.10 1.05 -0.32 3.45 0.00 -1.83 -0.68 119.26 122.03 1k3y h ALA 119 Ca 0.18 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 1k3y h ALA 119 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1k3y h ALA 119 CO -0.03 0.61 -0.51 0.87 0.00 0.00 0.00 179.25 180.20 1k3y h LYS 120 N 0.22 0.90 -0.60 0.00 1.79 -0.42 -1.79 116.57 116.68 1k3y h LYS 120 Ca 0.02 -0.55 -0.01 0.00 -2.18 0.00 0.00 60.65 57.93 1k3y h LYS 120 Cb 0.86 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.54 1k3y h LYS 120 CO 0.07 1.19 0.33 1.25 -1.08 0.00 0.00 179.45 181.21 1k3y h LEU 121 N 0.70 0.74 -1.05 2.94 5.85 -0.72 0.25 115.31 124.02 1k3y h LEU 121 Ca 0.03 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1k3y h LEU 121 Cb 1.12 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1k3y h LEU 121 CO 0.12 0.61 0.54 0.00 -0.34 0.00 0.00 178.44 179.37 1k3y h ALA 122 N 1.16 1.29 -0.13 1.25 0.00 -0.97 -1.65 119.26 120.20 1k3y h ALA 122 Ca 0.21 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1k3y h ALA 122 Cb 0.03 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1k3y h ALA 122 CO -0.03 0.62 -0.66 1.25 0.00 0.00 0.00 179.25 180.43 1k3y h LEU 123 N 1.22 0.60 -0.67 0.00 5.85 -0.67 -1.72 115.31 119.91 1k3y h LEU 123 Ca 0.32 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1k3y h LEU 123 Cb -0.07 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1k3y h LEU 123 CO -0.06 1.10 0.41 0.40 -0.34 0.00 0.00 178.44 179.95 1k3y h ILE 124 N 0.38 1.07 -0.42 4.05 2.04 -0.50 -1.45 117.51 122.67 1k3y h ILE 124 Ca -0.02 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 1k3y h ILE 124 Cb 1.22 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1k3y h ILE 124 CO 0.12 0.15 -0.24 0.11 0.00 0.00 0.00 178.15 178.28 1k3y h LYS 125 N 0.80 0.87 -0.36 2.37 1.57 -1.13 -0.53 116.57 120.16 1k3y h LYS 125 Ca 0.27 -0.37 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1k3y h LYS 125 Cb 0.05 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1k3y h LYS 125 CO -0.12 1.01 0.20 0.93 -0.57 0.00 0.00 179.45 180.90 1k3y h GLU 126 N 0.75 0.39 -0.41 3.15 4.39 -1.12 -1.69 114.58 120.03 1k3y h GLU 126 Ca 0.10 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 1k3y h GLU 126 Cb 0.79 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1k3y h GLU 126 CO 0.07 0.26 -0.15 0.87 -1.16 0.00 0.00 179.01 178.89 1k3y h LYS 127 N 0.40 0.77 0.13 2.33 1.57 -0.86 0.13 116.57 121.03 1k3y h LYS 127 Ca 0.15 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1k3y h LYS 127 Cb 0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1k3y h LYS 127 CO -0.08 0.88 -0.10 0.82 -0.57 0.00 0.00 179.45 180.39 1k3y h ILE 128 N 0.69 0.78 -0.06 1.86 2.04 -0.93 0.18 117.51 122.07 1k3y h ILE 128 Ca 0.11 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.81 1k3y h ILE 128 Cb 0.64 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1k3y h ILE 128 CO 0.05 0.00 -0.67 0.50 0.00 0.00 0.00 178.15 178.02 1k3y h LYS 129 N -0.24 0.25 0.00 2.37 3.64 -1.07 -0.59 116.57 120.93 1k3y h LYS 129 Ca -0.00 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1k3y h LYS 129 Cb 0.21 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1k3y h LYS 129 CO -0.01 0.83 -1.76 0.09 -2.27 0.00 0.00 179.45 176.33 1k3y n ASN 130 N -3.82 1.22 0.01 4.20 3.02 0.43 -4.44 115.26 115.88 1k3y n ASN 130 Ca -0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.51 1k3y n ASN 130 Cb 0.67 1.75 -0.00 0.00 -0.61 0.00 0.00 39.78 41.58 1k3y n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1k3y n ARG 131 N -2.08 0.07 -0.05 3.52 0.63 0.41 -4.77 116.66 114.40 1k3y n ARG 131 Ca -0.03 0.03 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 1k3y n ARG 131 Cb 0.43 -0.46 -0.13 0.00 0.45 0.00 0.00 32.46 32.75 1k3y n ARG 131 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1k3y h TYR 132 N -0.12 0.11 -0.54 -0.14 0.05 -1.02 -2.73 116.97 112.58 1k3y h TYR 132 Ca 0.00 -0.08 -0.09 0.00 0.05 0.00 0.00 58.73 58.61 1k3y h TYR 132 Cb 0.12 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1k3y h TYR 132 CO -0.05 1.09 -0.01 0.74 -1.05 0.00 0.00 178.16 178.88 1k3y h PHE 133 N -0.87 1.04 -0.99 4.88 -1.00 -1.31 -2.14 116.94 116.55 1k3y h PHE 133 Ca -0.05 -0.18 0.12 0.00 2.81 0.00 0.00 57.97 60.67 1k3y h PHE 133 Cb 1.15 -0.27 -0.08 0.00 3.61 0.00 0.00 35.95 40.35 1k3y h PHE 133 CO 0.25 0.95 0.62 -1.35 -1.61 0.00 0.00 178.31 177.17 1k3y h PRO 134 N 0.83 0.96 -0.61 1.51 0.11 -1.76 -0.50 132.00 132.53 1k3y h PRO 134 Ca 0.15 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.16 1k3y h PRO 134 Cb 0.54 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.41 1k3y h PRO 134 CO 0.03 0.63 0.20 0.00 -0.21 0.00 0.00 178.00 178.65 1k3y h ALA 135 N 1.53 0.80 0.02 -0.75 0.00 -1.08 -0.73 119.26 119.05 1k3y h ALA 135 Ca 0.49 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.95 1k3y h ALA 135 Cb 0.47 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1k3y h ALA 135 CO -0.26 0.46 -1.01 0.74 0.00 0.00 0.00 179.25 179.18 1k3y h PHE 136 N 0.87 0.77 -0.77 0.00 0.04 -0.99 -2.64 116.94 114.22 1k3y h PHE 136 Ca 0.20 -0.43 0.06 0.00 2.80 0.00 0.00 57.97 60.59 1k3y h PHE 136 Cb 0.27 -0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.29 1k3y h PHE 136 CO 0.02 1.26 0.46 1.49 -0.60 0.00 0.00 178.31 180.94 1k3y h GLU 137 N 0.28 0.83 -0.77 1.51 4.57 -1.02 -1.80 114.58 118.18 1k3y h GLU 137 Ca -0.11 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1k3y h GLU 137 Cb 1.66 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 30.03 1k3y h GLU 137 CO 0.18 0.55 0.46 -0.22 -1.18 0.00 0.00 179.01 178.80 1k3y h LYS 138 N 0.85 1.04 -0.10 1.92 3.64 -1.02 0.06 116.57 122.97 1k3y h LYS 138 Ca 0.33 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1k3y h LYS 138 Cb 0.15 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 1k3y h LYS 138 CO -0.17 0.74 -0.05 0.28 -2.27 0.00 0.00 179.45 177.98 1k3y h VAL 139 N 1.05 0.83 -0.40 2.00 2.07 -1.06 -0.64 116.25 120.10 1k3y h VAL 139 Ca 0.27 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.71 1k3y h VAL 139 Cb -0.03 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1k3y h VAL 139 CO -0.05 0.00 -0.08 -0.07 0.02 0.00 0.00 177.57 177.39 1k3y h LEU 140 N -0.05 0.66 -0.92 2.57 3.38 -0.98 -2.39 115.31 117.58 1k3y h LEU 140 Ca 0.06 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1k3y h LEU 140 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1k3y h LEU 140 CO -0.13 0.78 -0.52 0.50 0.09 0.00 0.00 178.44 179.16 1k3y h LYS 141 N 0.63 0.00 -0.18 1.13 3.64 -0.75 -1.00 116.57 120.05 1k3y h LYS 141 Ca 0.11 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1k3y h LYS 141 Cb 0.51 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1k3y h LYS 141 CO 0.03 0.52 -0.15 0.66 -2.27 0.00 0.00 179.45 178.24 1k3y h SER 142 N 0.00 0.27 0.00 4.20 4.64 -0.58 -3.31 113.55 118.78 1k3y h SER 142 Ca -0.01 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1k3y h SER 142 Cb 0.96 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1k3y h SER 142 CO 0.07 0.45 -0.14 0.00 -0.87 0.00 0.00 176.83 176.33 1k3y n HIS 143 N -4.24 0.00 -1.26 4.77 1.44 -1.21 -5.04 115.22 109.67 1k3y n HIS 143 Ca -0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.61 1k3y n HIS 143 Cb 0.29 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.36 1k3y n HIS 143 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1k3y n GLY 144 N 1.15 0.97 3.92 -1.39 0.00 -0.38 -4.99 105.19 104.47 1k3y n GLY 144 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1k3y n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k3y s GLN 145 N -2.57 3.53 0.21 1.61 -0.21 -1.26 -5.01 119.66 115.96 1k3y s GLN 145 Ca 0.00 -0.31 0.24 0.00 0.02 0.00 0.00 55.36 55.31 1k3y s GLN 145 Cb 0.00 -2.87 0.91 0.00 1.00 0.00 0.00 33.01 32.05 1k3y s GLN 145 CO 0.00 0.45 1.73 -0.25 -2.12 0.00 0.00 175.29 175.10 1k3y n ASP 146 N -0.35 0.63 -4.30 5.90 8.00 -1.26 -4.79 116.55 120.38 1k3y n ASP 146 Ca -0.04 0.61 -0.21 0.00 0.71 0.00 0.00 54.79 55.85 1k3y n ASP 146 Cb 0.53 -0.76 -0.11 0.00 -0.02 0.00 0.00 41.12 40.75 1k3y n ASP 146 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1k3y s TYR 147 N -3.20 1.73 0.22 1.24 2.02 -1.26 -4.94 117.35 113.16 1k3y s TYR 147 Ca 0.07 -0.47 -0.07 0.00 -0.37 0.00 0.00 57.07 56.23 1k3y s TYR 147 Cb 0.11 -0.89 0.19 0.00 -0.40 0.00 0.00 41.96 40.97 1k3y s TYR 147 CO 0.46 0.27 1.77 -0.07 -1.57 0.00 0.00 175.55 176.41 1k3y h LEU 148 N 3.48 1.05 -7.87 -1.29 3.38 -1.86 -3.42 115.31 108.77 1k3y h LEU 148 Ca -0.43 -0.18 -0.40 0.00 0.09 0.00 0.00 57.88 56.96 1k3y h LEU 148 Cb 1.20 -0.27 -0.32 0.00 0.09 0.00 0.00 40.66 41.36 1k3y h LEU 148 CO 0.48 0.96 -0.77 -0.69 0.09 0.00 0.00 178.44 178.51 1k3y s VAL 149 N -5.43 0.61 -0.74 1.22 1.01 -1.26 -4.87 120.40 110.94 1k3y s VAL 149 Ca -0.12 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1k3y s VAL 149 Cb 0.15 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.96 1k3y s VAL 149 CO 0.84 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.76 1k3y n GLY 150 N 3.51 0.81 3.60 4.51 0.00 -1.26 -3.05 105.19 113.31 1k3y n GLY 150 Ca -0.20 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 1k3y n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k3y n ASN 151 N -0.44 -4.93 -3.50 1.61 5.15 -1.26 -4.95 115.26 106.94 1k3y n ASN 151 Ca -0.07 -0.58 -0.13 0.00 -0.60 0.00 0.00 54.58 53.20 1k3y n ASN 151 Cb 0.39 -3.96 -0.04 0.00 -0.53 0.00 0.00 39.78 35.64 1k3y n ASN 151 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1k3y s LYS 152 N -6.30 1.16 0.23 1.20 -2.85 -1.17 -4.91 119.74 107.10 1k3y s LYS 152 Ca 0.54 -0.33 -0.32 0.00 -1.00 0.00 0.00 55.97 54.86 1k3y s LYS 152 Cb -0.27 0.53 -0.13 0.00 -2.06 0.00 0.00 37.83 35.91 1k3y s LYS 152 CO 0.66 -0.46 1.59 -0.11 0.10 0.00 0.00 175.35 177.13 1k3y n LEU 153 N 0.03 3.76 -4.30 2.77 7.94 -1.26 -4.56 117.00 121.37 1k3y n LEU 153 Ca -0.17 1.11 -0.17 0.00 -1.11 0.00 0.00 56.01 55.67 1k3y n LEU 153 Cb 0.62 -1.52 -0.09 0.00 0.53 0.00 0.00 43.42 42.96 1k3y n LEU 153 CO 0.16 -0.06 -0.21 -0.94 -1.11 0.00 0.00 177.39 175.23 1k3y s SER 154 N 0.71 1.22 0.53 1.96 1.04 -1.26 -4.76 113.70 113.13 1k3y s SER 154 Ca 0.71 -1.52 0.21 0.00 0.48 0.00 0.00 55.95 55.83 1k3y s SER 154 Cb -0.57 0.37 1.36 0.00 0.10 0.00 0.00 66.02 67.28 1k3y s SER 154 CO 0.42 -0.87 2.07 0.08 0.98 0.00 0.00 173.24 175.93 1k3y h ARG 155 N 2.31 0.00 -0.69 4.02 0.11 -1.13 -2.14 114.38 116.87 1k3y h ARG 155 Ca -0.34 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.77 1k3y h ARG 155 Cb 1.25 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.28 1k3y h ARG 155 CO 0.52 0.00 0.42 0.00 0.10 0.00 0.00 179.97 181.01 1k3y h ALA 156 N 1.86 0.90 -0.68 0.08 0.00 -1.91 0.32 119.26 119.82 1k3y h ALA 156 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1k3y h ALA 156 Cb 0.52 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1k3y h ALA 156 CO -0.00 0.18 0.35 -0.44 0.00 0.00 0.00 179.25 179.34 1k3y h ASP 157 N 0.82 0.87 -0.02 0.00 3.32 -1.79 -0.90 116.42 118.73 1k3y h ASP 157 Ca 0.28 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1k3y h ASP 157 Cb 0.04 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1k3y h ASP 157 CO -0.12 0.74 -0.01 0.40 -1.72 0.00 0.00 179.24 178.53 1k3y h ILE 158 N 0.94 1.33 -0.65 0.35 1.08 -1.38 -1.13 117.51 118.05 1k3y h ILE 158 Ca 0.24 -1.00 -0.04 0.00 -0.39 0.00 0.00 64.86 63.67 1k3y h ILE 158 Cb 0.08 1.97 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 1k3y h ILE 158 CO -0.03 0.26 0.23 0.45 -0.69 0.00 0.00 178.15 178.37 1k3y h HIS 159 N -0.37 0.98 -0.12 1.37 3.86 -0.93 -1.42 115.15 118.52 1k3y h HIS 159 Ca 0.00 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1k3y h HIS 159 Cb 0.43 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1k3y h HIS 159 CO 0.07 0.77 0.02 1.25 0.86 0.00 0.00 177.93 180.89 1k3y h LEU 160 N 0.94 0.19 -0.97 2.43 5.85 -1.10 -2.38 115.31 120.27 1k3y h LEU 160 Ca 0.22 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1k3y h LEU 160 Cb 0.22 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1k3y h LEU 160 CO -0.01 0.40 -0.07 0.58 -0.34 0.00 0.00 178.44 178.99 1k3y h VAL 161 N -0.03 1.24 -0.27 1.05 2.07 -1.05 0.30 116.25 119.57 1k3y h VAL 161 Ca 0.04 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.57 1k3y h VAL 161 Cb 0.29 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1k3y h VAL 161 CO 0.00 0.35 -0.07 -0.08 0.02 0.00 0.00 177.57 177.80 1k3y h GLU 162 N 0.62 -0.00 -0.54 1.57 4.81 -1.23 -1.64 114.58 118.17 1k3y h GLU 162 Ca 0.12 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1k3y h GLU 162 Cb 0.50 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1k3y h GLU 162 CO 0.03 -0.00 0.28 1.25 -0.73 0.00 0.00 179.01 179.83 1k3y h LEU 163 N -0.00 0.67 -1.13 1.64 5.85 -0.82 -1.91 115.31 119.60 1k3y h LEU 163 Ca 0.13 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1k3y h LEU 163 Cb 0.20 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1k3y h LEU 163 CO -0.28 0.55 0.25 -0.07 -0.34 0.00 0.00 178.44 178.56 1k3y h LEU 164 N 0.75 0.79 -0.66 2.25 3.38 -0.06 0.82 115.31 122.58 1k3y h LEU 164 Ca 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1k3y h LEU 164 Cb 0.05 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1k3y h LEU 164 CO -0.03 0.70 0.35 1.88 0.09 0.00 0.00 178.44 181.43 1k3y h TYR 165 N 0.86 0.91 -0.66 1.13 0.05 -0.61 -1.00 116.97 117.65 1k3y h TYR 165 Ca 0.21 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.89 1k3y h TYR 165 Cb 0.15 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 1k3y h TYR 165 CO 0.01 0.65 0.12 1.88 -1.05 0.00 0.00 178.16 179.77 1k3y h TYR 166 N 0.90 1.15 -0.67 4.88 0.05 -0.95 -2.45 116.97 119.88 1k3y h TYR 166 Ca 0.23 -0.16 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 1k3y h TYR 166 Cb 0.05 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.44 1k3y h TYR 166 CO -0.01 0.96 0.31 0.28 -1.05 0.00 0.00 178.16 178.66 1k3y h VAL 167 N 1.00 1.22 -0.99 -2.88 2.07 -0.73 -1.66 116.25 114.29 1k3y h VAL 167 Ca 0.20 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.10 1k3y h VAL 167 Cb 0.43 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1k3y h VAL 167 CO 0.01 0.26 0.66 -0.08 0.02 0.00 0.00 177.57 178.44 1k3y h GLU 168 N 0.95 1.31 -0.45 1.57 4.81 -0.92 -0.07 114.58 121.77 1k3y h GLU 168 Ca 0.23 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1k3y h GLU 168 Cb 0.11 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1k3y h GLU 168 CO -0.03 0.87 -0.06 0.93 -0.73 0.00 0.00 179.01 179.99 1k3y h GLU 169 N 1.35 0.78 0.25 1.92 5.08 -0.95 -3.01 114.58 120.00 1k3y h GLU 169 Ca 0.36 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1k3y h GLU 169 Cb -0.15 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1k3y h GLU 169 CO -0.08 0.83 -0.12 1.25 -1.00 0.00 0.00 179.01 179.89 1k3y h LEU 170 N 0.72 -0.29 -6.10 1.33 6.46 -0.50 -3.45 115.31 113.47 1k3y h LEU 170 Ca 0.13 -0.17 0.15 0.00 -0.12 0.00 0.00 57.88 57.87 1k3y h LEU 170 Cb 0.52 0.07 -0.21 0.00 -0.73 0.00 0.00 40.66 40.31 1k3y h LEU 170 CO 0.03 0.02 -0.09 -0.62 -0.62 0.00 0.00 178.44 177.16 1k3y s ASP 171 N -5.11 -1.00 0.00 1.25 -1.08 -0.11 -5.03 116.67 105.59 1k3y s ASP 171 Ca -0.15 0.72 0.21 0.00 -0.52 0.00 0.00 52.55 52.81 1k3y s ASP 171 Cb 0.03 1.88 0.94 0.00 -1.46 0.00 0.00 42.92 44.31 1k3y s ASP 171 CO 0.59 -0.19 1.66 -1.54 0.52 0.00 0.00 175.17 176.22 1k3y n SER 172 N 5.41 0.00 0.09 -0.34 3.41 -1.15 -2.30 113.62 118.75 1k3y n SER 172 Ca -0.04 0.32 0.13 0.00 -0.26 0.00 0.00 58.87 59.01 1k3y n SER 172 Cb 0.52 -0.43 0.29 0.00 -0.26 0.00 0.00 64.21 64.33 1k3y n SER 172 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1k3y h SER 173 N 0.00 0.00 0.24 4.04 4.64 -1.91 -3.38 113.55 117.18 1k3y h SER 173 Ca 0.00 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.14 1k3y h SER 173 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1k3y h SER 173 CO 0.00 0.04 -0.37 -0.07 -0.87 0.00 0.00 176.83 175.57 1k3y h LEU 174 N 0.00 0.18 -0.02 5.97 3.38 -1.80 -1.48 115.31 121.53 1k3y h LEU 174 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1k3y h LEU 174 Cb 0.76 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1k3y h LEU 174 CO 0.00 0.55 -0.02 0.00 0.09 0.00 0.00 178.44 179.05 1k3y n ILE 175 N -4.07 0.00 0.04 1.22 3.06 -1.26 -4.44 119.36 113.92 1k3y n ILE 175 Ca -0.01 -0.01 0.04 0.00 -2.50 0.00 0.00 62.75 60.27 1k3y n ILE 175 Cb 0.44 -0.44 0.45 0.00 0.54 0.00 0.00 39.64 40.62 1k3y n ILE 175 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 1k3y h SER 176 N 0.05 0.39 -0.37 9.51 4.64 -1.51 -0.53 113.55 125.74 1k3y h SER 176 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1k3y h SER 176 Cb 0.34 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1k3y h SER 176 CO 0.00 0.31 0.00 -1.54 -0.87 0.00 0.00 176.83 174.73 1k3y n SER 177 N -4.46 3.29 -3.60 4.97 3.41 -1.26 -4.58 113.62 111.39 1k3y n SER 177 Ca 0.02 -2.37 -0.27 0.00 -0.26 0.00 0.00 58.87 55.99 1k3y n SER 177 Cb 0.09 -0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 1k3y n SER 177 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1k3y n PHE 178 N 0.50 2.75 0.14 7.33 3.72 -0.21 -4.97 117.46 126.72 1k3y n PHE 178 Ca 0.16 -4.10 0.02 0.00 -0.05 0.00 0.00 57.45 53.48 1k3y n PHE 178 Cb 0.66 -0.50 0.37 0.00 -0.94 0.00 0.00 39.48 39.08 1k3y n PHE 178 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1k3y h PRO 179 N 4.80 0.17 -0.06 -1.08 0.13 -1.81 -1.93 132.00 132.22 1k3y h PRO 179 Ca 0.17 -0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 65.09 1k3y h PRO 179 Cb 0.74 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1k3y h PRO 179 CO 0.71 0.39 -0.70 -0.07 -0.23 0.00 0.00 178.00 178.11 1k3y h LEU 180 N 0.16 0.35 -0.70 1.56 3.38 -1.94 -1.54 115.31 116.59 1k3y h LEU 180 Ca 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1k3y h LEU 180 Cb 0.48 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1k3y h LEU 180 CO 0.03 0.94 0.31 -0.07 0.09 0.00 0.00 178.44 179.74 1k3y h LEU 181 N 0.20 0.93 -0.89 1.67 3.38 -1.85 -0.66 115.31 118.10 1k3y h LEU 181 Ca -0.02 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1k3y h LEU 181 Cb 1.25 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 1k3y h LEU 181 CO 0.11 0.82 0.57 0.11 0.09 0.00 0.00 178.44 180.14 1k3y h LYS 182 N 0.98 1.06 -0.45 1.13 1.57 -1.08 -1.31 116.57 118.46 1k3y h LYS 182 Ca 0.24 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 1k3y h LYS 182 Cb 0.15 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1k3y h LYS 182 CO -0.03 0.70 -0.16 0.00 -0.57 0.00 0.00 179.45 179.39 1k3y h ALA 183 N 1.38 0.85 -0.43 3.86 0.00 -1.01 -2.36 119.26 121.55 1k3y h ALA 183 Ca 0.36 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1k3y h ALA 183 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1k3y h ALA 183 CO -0.13 0.64 0.10 1.25 0.00 0.00 0.00 179.25 181.11 1k3y h LEU 184 N 0.77 0.66 -0.64 0.00 5.85 -0.70 -0.70 115.31 120.54 1k3y h LEU 184 Ca 0.11 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1k3y h LEU 184 Cb 0.69 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1k3y h LEU 184 CO 0.05 0.73 0.36 0.50 -0.34 0.00 0.00 178.44 179.74 1k3y h LYS 185 N 0.56 0.67 -0.15 1.25 3.64 -1.03 -0.21 116.57 121.30 1k3y h LYS 185 Ca 0.13 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1k3y h LYS 185 Cb 0.33 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1k3y h LYS 185 CO 0.00 0.44 0.03 1.15 -2.27 0.00 0.00 179.45 178.80 1k3y h THR 186 N 0.69 1.21 -0.27 1.00 2.02 -1.16 -1.25 112.91 115.15 1k3y h THR 186 Ca 0.28 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1k3y h THR 186 Cb 0.13 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1k3y h THR 186 CO -0.16 0.20 0.09 0.03 0.37 0.00 0.00 175.52 176.05 1k3y h ARG 187 N 0.03 0.42 -0.51 6.66 3.08 -0.71 -2.21 114.38 121.13 1k3y h ARG 187 Ca 0.04 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1k3y h ARG 187 Cb 0.29 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1k3y h ARG 187 CO 0.00 0.48 -0.04 0.82 -1.07 0.00 0.00 179.97 180.16 1k3y h ILE 188 N 0.28 1.26 0.00 2.04 1.08 -1.07 -2.04 117.51 119.05 1k3y h ILE 188 Ca 0.09 -1.12 -0.01 0.00 -0.39 0.00 0.00 64.86 63.42 1k3y h ILE 188 Cb 0.23 0.90 -0.00 0.00 -3.07 0.00 0.00 36.82 34.89 1k3y h ILE 188 CO -0.00 0.40 -0.05 0.28 -0.69 0.00 0.00 178.15 178.09 1k3y h SER 189 N 0.82 0.00 0.24 1.72 0.02 -1.01 -1.94 113.55 113.40 1k3y h SER 189 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1k3y h SER 189 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1k3y h SER 189 CO 0.03 0.05 -0.34 0.59 -1.14 0.00 0.00 176.83 176.01 1k3y n ASN 190 N -3.41 1.07 -4.75 3.07 3.02 -0.79 -2.78 115.26 110.69 1k3y n ASN 190 Ca -0.02 -0.88 -0.42 0.00 -0.03 0.00 0.00 54.58 53.24 1k3y n ASN 190 Cb 0.18 0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 39.56 1k3y n ASN 190 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1k3y n LEU 191 N -0.73 4.37 -0.28 3.41 4.77 -0.73 -4.72 117.00 123.10 1k3y n LEU 191 Ca 0.11 1.18 0.07 0.00 -0.03 0.00 0.00 56.01 57.34 1k3y n LEU 191 Cb 0.36 -1.59 0.22 0.00 -2.33 0.00 0.00 43.42 40.08 1k3y n LEU 191 CO 0.28 0.07 1.05 -0.65 -1.33 0.00 0.00 177.39 176.81 1k3y h PRO 192 N 3.93 0.49 -0.21 3.23 0.11 -1.89 0.26 132.00 137.90 1k3y h PRO 192 Ca -0.48 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 1k3y h PRO 192 Cb 1.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1k3y h PRO 192 CO 0.72 0.32 -0.53 1.79 -0.21 0.00 0.00 178.00 180.10 1k3y h THR 193 N 0.50 1.31 -0.13 -1.15 1.35 -1.87 -2.27 112.91 110.65 1k3y h THR 193 Ca 0.45 -1.75 -0.21 0.00 -0.55 0.00 0.00 66.41 64.35 1k3y h THR 193 Cb 0.70 1.71 0.01 0.00 -1.73 0.00 0.00 68.15 68.84 1k3y h THR 193 CO -0.41 0.55 -0.77 0.58 -0.25 0.00 0.00 175.52 175.22 1k3y h VAL 194 N 0.48 1.30 -0.68 6.82 2.07 -1.57 -2.30 116.25 122.37 1k3y h VAL 194 Ca 0.01 -2.02 0.08 0.00 0.82 0.00 0.00 66.70 65.60 1k3y h VAL 194 Cb 1.08 2.02 -0.07 0.00 -1.52 0.00 0.00 31.29 32.80 1k3y h VAL 194 CO 0.10 0.63 0.34 0.50 0.02 0.00 0.00 177.57 179.16 1k3y h LYS 195 N 0.47 0.57 -0.56 1.57 3.64 -0.35 -0.11 116.57 121.79 1k3y h LYS 195 Ca -0.05 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1k3y h LYS 195 Cb 1.39 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 1k3y h LYS 195 CO 0.15 0.38 0.24 -0.22 -2.27 0.00 0.00 179.45 177.73 1k3y h LYS 196 N 0.59 0.83 0.00 1.90 3.64 -1.37 -1.92 116.57 120.24 1k3y h LYS 196 Ca 0.33 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1k3y h LYS 196 Cb 0.33 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1k3y h LYS 196 CO -0.25 0.70 -0.19 0.35 -2.27 0.00 0.00 179.45 177.79 1k3y h PHE 197 N 0.77 0.00 0.00 1.91 3.57 -0.70 -2.29 116.94 120.20 1k3y h PHE 197 Ca 0.19 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1k3y h PHE 197 Cb 0.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1k3y h PHE 197 CO 0.00 0.19 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.99 1k3y h LEU 198 N 0.00 0.00-10.36 0.59 3.38 -0.54 -3.41 115.31 104.97 1k3y h LEU 198 Ca -0.00 -0.01 -0.50 0.00 0.09 0.00 0.00 57.88 57.45 1k3y h LEU 198 Cb 0.37 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.22 1k3y h LEU 198 CO 0.02 0.01 0.35 -1.10 0.09 0.00 0.00 178.44 177.81 1k3y s GLN 199 N -3.22 2.55 0.68 1.13 -0.21 -0.77 -5.00 119.66 114.83 1k3y s GLN 199 Ca 0.06 0.88 -0.17 0.00 0.02 0.00 0.00 55.36 56.15 1k3y s GLN 199 Cb 0.07 -1.95 -0.00 0.00 1.00 0.00 0.00 33.01 32.13 1k3y s GLN 199 CO 0.69 -1.35 1.12 -2.30 -2.12 0.00 0.00 175.29 171.32 1k3y n PRO 200 N -3.29 0.77 -0.84 2.91 -0.02 -1.26 -3.45 135.00 129.81 1k3y n PRO 200 Ca 0.07 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1k3y n PRO 200 Cb 0.54 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1k3y n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k3y n GLY 201 N 1.00 0.81 3.93 -1.23 0.00 -1.26 -5.05 105.19 103.40 1k3y n GLY 201 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1k3y n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k3y s SER 202 N -2.69 4.42 0.00 1.61 1.04 -1.22 -4.96 113.70 111.89 1k3y s SER 202 Ca 0.00 0.37 0.15 0.00 0.48 0.00 0.00 55.95 56.96 1k3y s SER 202 Cb 0.00 -0.87 0.83 0.00 0.10 0.00 0.00 66.02 66.08 1k3y s SER 202 CO 0.00 -1.87 1.38 -2.65 0.98 0.00 0.00 173.24 171.08 1k3y n PRO 203 N -3.11 0.33 -1.73 4.02 -0.02 -1.26 -4.83 135.00 128.40 1k3y n PRO 203 Ca 0.10 0.08 -0.42 0.00 -2.02 0.00 0.00 63.50 61.24 1k3y n PRO 203 Cb 0.60 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.58 1k3y n PRO 203 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1k3y n ARG 204 N -1.16 2.41 -4.07 -0.52 0.63 -1.26 -4.97 116.66 107.72 1k3y n ARG 204 Ca 0.09 0.85 -0.28 0.00 -0.92 0.00 0.00 57.85 57.59 1k3y n ARG 204 Cb 0.09 -2.52 -0.06 0.00 0.45 0.00 0.00 32.46 30.42 1k3y n ARG 204 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1k3y s LYS 205 N -1.63 2.87 0.84 -0.14 -0.14 -1.26 -5.00 119.74 115.28 1k3y s LYS 205 Ca 0.57 -0.78 -0.12 0.00 -1.36 0.00 0.00 55.97 54.28 1k3y s LYS 205 Cb -0.53 -2.68 0.10 0.00 -1.68 0.00 0.00 37.83 33.04 1k3y s LYS 205 CO 0.60 0.53 1.14 -1.25 -0.76 0.00 0.00 175.35 175.60 1k3y s PRO 206 N -2.73 1.69 0.51 -1.68 0.04 -1.26 -4.86 135.00 126.71 1k3y s PRO 206 Ca 0.30 0.32 -0.22 0.00 0.04 0.00 0.00 61.00 61.44 1k3y s PRO 206 Cb -0.11 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 1k3y s PRO 206 CO 0.22 -1.83 1.13 -2.30 0.04 0.00 0.00 177.00 174.27 1k3y n PRO 207 N -3.52 1.41 -2.61 0.56 -0.02 -1.26 -4.45 135.00 125.11 1k3y n PRO 207 Ca 0.07 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 1k3y n PRO 207 Cb 0.59 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 1k3y n PRO 207 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1k3y s MET 208 N -2.50 4.36 0.54 -0.52 1.75 -1.26 -5.02 119.30 116.65 1k3y s MET 208 Ca 0.69 1.48 0.08 0.00 -1.25 0.00 0.00 55.69 56.69 1k3y s MET 208 Cb -0.47 -3.58 0.07 0.00 2.84 0.00 0.00 34.83 33.69 1k3y s MET 208 CO 0.52 -0.43 0.74 0.16 -0.65 0.00 0.00 175.02 175.37 1k3y s ASP 209 N 1.27 5.21 0.38 1.11 1.47 -1.26 -4.89 116.67 119.96 1k3y s ASP 209 Ca 0.50 -0.66 0.07 0.00 1.18 0.00 0.00 52.55 53.63 1k3y s ASP 209 Cb -0.20 -0.04 0.80 0.00 -0.34 0.00 0.00 42.92 43.14 1k3y s ASP 209 CO 0.17 -1.21 1.98 -0.33 0.68 0.00 0.00 175.17 176.46 1k3y h GLU 210 N 0.26 0.66 -0.11 2.11 4.39 -1.99 -1.02 114.58 118.87 1k3y h GLU 210 Ca -0.34 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.18 1k3y h GLU 210 Cb 1.28 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1k3y h GLU 210 CO 0.42 0.44 -0.54 0.87 -1.16 0.00 0.00 179.01 179.03 1k3y h LYS 211 N 0.68 0.33 -0.17 2.33 1.57 -1.99 0.46 116.57 119.78 1k3y h LYS 211 Ca 0.27 -0.21 -0.18 0.00 -1.87 0.00 0.00 60.65 58.66 1k3y h LYS 211 Cb 0.22 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1k3y h LYS 211 CO -0.08 0.79 -0.65 1.03 -0.57 0.00 0.00 179.45 179.97 1k3y h SER 212 N 0.26 0.71 -0.68 0.86 0.87 -1.72 -1.87 113.55 111.98 1k3y h SER 212 Ca 0.00 -0.42 -0.02 0.00 -1.23 0.00 0.00 61.79 60.12 1k3y h SER 212 Cb 1.04 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 1k3y h SER 212 CO 0.09 1.17 0.35 0.25 -0.53 0.00 0.00 176.83 178.17 1k3y h LEU 213 N 0.45 0.86 -1.42 2.23 5.85 -0.98 0.17 115.31 122.46 1k3y h LEU 213 Ca -0.01 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1k3y h LEU 213 Cb 1.23 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1k3y h LEU 213 CO 0.12 0.73 0.39 -0.08 -0.34 0.00 0.00 178.44 179.26 1k3y h GLU 214 N 0.93 0.77 -0.41 1.25 4.57 -0.87 -1.05 114.58 119.77 1k3y h GLU 214 Ca 0.24 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.25 1k3y h GLU 214 Cb 0.07 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1k3y h GLU 214 CO -0.03 0.51 -0.22 1.49 -1.18 0.00 0.00 179.01 179.58 1k3y h GLU 215 N 0.80 0.81 -0.73 1.92 4.81 -0.45 -1.81 114.58 119.93 1k3y h GLU 215 Ca 0.22 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1k3y h GLU 215 Cb -0.09 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 1k3y h GLU 215 CO -0.05 0.95 0.45 0.00 -0.73 0.00 0.00 179.01 179.64 1k3y h ALA 216 N 1.05 0.93 -0.79 2.92 0.00 -0.29 -0.40 119.26 122.68 1k3y h ALA 216 Ca 0.10 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1k3y h ALA 216 Cb 0.74 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1k3y h ALA 216 CO 0.06 0.39 0.47 0.00 0.00 0.00 0.00 179.25 180.17 1k3y h ARG 217 N 1.00 0.81 -0.30 0.00 3.08 -0.81 -0.31 114.38 117.85 1k3y h ARG 217 Ca 0.26 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.13 1k3y h ARG 217 Cb -0.05 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.81 1k3y h ARG 217 CO -0.05 0.54 -0.35 0.87 -1.07 0.00 0.00 179.97 179.91 1k3y h LYS 218 N 0.84 0.76 -0.29 0.04 1.57 -0.93 -0.60 116.57 117.97 1k3y h LYS 218 Ca 0.35 -0.42 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 1k3y h LYS 218 Cb 0.22 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1k3y h LYS 218 CO -0.19 1.05 -0.20 0.82 -0.57 0.00 0.00 179.45 180.36 1k3y h ILE 219 N 0.52 1.30 -0.02 1.86 2.04 -0.89 -3.30 117.51 119.02 1k3y h ILE 219 Ca 0.04 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.57 1k3y h ILE 219 Cb 0.93 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1k3y h ILE 219 CO 0.08 0.42 -0.39 0.49 0.00 0.00 0.00 178.15 178.76 1k3y n PHE 220 N -4.35 0.00 -3.37 1.37 3.72 -0.14 -4.25 117.46 110.43 1k3y n PHE 220 Ca -0.04 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.17 1k3y n PHE 220 Cb 0.41 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 39.00 1k3y n PHE 220 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1k3y n ARG 221 N 0.13 -1.86 0.00 -1.08 1.74 -0.29 -5.03 116.66 110.26 1k3y n ARG 221 Ca 0.10 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 1k3y n ARG 221 Cb 0.48 -5.27 0.00 0.00 -1.02 0.00 0.00 32.46 26.65 1k3y n ARG 221 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08