#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k0z s VAL 29 N 0.00 5.26 -0.41 2.62 1.01 -1.26 -5.03 120.40 122.59 3k0z s VAL 29 Ca 0.00 0.65 -0.24 0.00 0.00 0.00 0.00 61.98 62.39 3k0z s VAL 29 Cb 0.00 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.73 3k0z s VAL 29 CO 0.00 0.41 0.86 -1.58 0.00 0.00 0.00 175.10 174.79 3k0z s GLN 30 N 0.27 3.65 0.50 2.72 0.74 -1.26 -5.02 119.66 121.25 3k0z s GLN 30 Ca 0.19 0.26 -0.19 0.00 0.05 0.00 0.00 55.36 55.67 3k0z s GLN 30 Cb -0.14 -3.87 -0.08 0.00 1.10 0.00 0.00 33.01 30.03 3k0z s GLN 30 CO 0.06 -1.03 1.01 -0.51 -0.55 0.00 0.00 175.29 174.27 3k0z s LEU 31 N 3.43 3.77 0.20 3.68 1.43 -1.26 -5.00 118.68 124.93 3k0z s LEU 31 Ca 0.35 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 54.93 3k0z s LEU 31 Cb -0.12 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.48 3k0z s LEU 31 CO 0.21 -0.71 1.08 -0.76 0.23 0.00 0.00 176.35 176.40 3k0z s LEU 32 N -3.69 4.52 0.52 1.79 1.43 -1.26 -5.03 118.68 116.96 3k0z s LEU 32 Ca 0.64 2.10 -0.11 0.00 -1.03 0.00 0.00 54.13 55.73 3k0z s LEU 32 Cb -0.13 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 3k0z s LEU 32 CO 0.23 -0.16 0.90 -0.54 0.23 0.00 0.00 176.35 177.02 3k0z s LYS 33 N -0.66 3.70 -0.86 1.70 3.01 -1.26 -4.86 119.74 120.52 3k0z s LYS 33 Ca 0.47 0.60 -0.03 0.00 -1.01 0.00 0.00 55.97 56.00 3k0z s LYS 33 Cb -0.29 -2.23 -0.04 0.00 -1.01 0.00 0.00 37.83 34.26 3k0z s LYS 33 CO 0.36 -0.30 0.74 0.39 0.51 0.00 0.00 175.35 177.05 3k0z n GLU 34 N -2.06 -2.77 -2.82 1.68 1.02 -1.26 -5.15 120.64 109.29 3k0z n GLU 34 Ca 0.04 0.68 -0.41 0.00 -0.02 0.00 0.00 57.16 57.45 3k0z n GLU 34 Cb 0.54 -4.99 -0.04 0.00 -0.02 0.00 0.00 31.44 26.93 3k0z n GLU 34 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3k0z s PRO 36 N -4.38 4.56 -0.18 3.49 0.02 -1.26 -5.07 135.00 132.19 3k0z s PRO 36 Ca 0.26 1.28 -0.07 0.00 0.02 0.00 0.00 61.00 62.49 3k0z s PRO 36 Cb -0.03 -3.42 -0.04 0.00 0.02 0.00 0.00 34.50 31.03 3k0z s PRO 36 CO 0.58 0.09 0.04 0.15 -0.33 0.00 0.00 177.00 177.54 3k0z s LYS 37 N 0.54 3.91 0.32 5.54 1.02 -1.26 -4.75 119.74 125.05 3k0z s LYS 37 Ca 0.46 -0.38 -0.29 0.00 0.02 0.00 0.00 55.97 55.77 3k0z s LYS 37 Cb -0.21 -3.16 -0.12 0.00 -0.52 0.00 0.00 37.83 33.82 3k0z s LYS 37 CO 0.26 0.25 1.54 -2.30 -0.92 0.00 0.00 175.35 174.18 3k0z n PRO 38 N 3.58 2.64 0.19 -1.68 -0.02 -1.26 -4.46 135.00 133.99 3k0z n PRO 38 Ca -0.17 0.93 0.10 0.00 -2.02 0.00 0.00 63.50 62.35 3k0z n PRO 38 Cb 0.52 -2.68 0.12 0.00 -0.02 0.00 0.00 33.50 31.44 3k0z n PRO 38 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3k0z h LYS 39 N 4.05 0.00 -3.73 -0.52 1.57 -1.29 -3.49 116.57 113.17 3k0z h LYS 39 Ca -0.48 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.10 3k0z h LYS 39 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 3k0z h LYS 39 CO 0.73 0.08 -0.01 0.00 -0.57 0.00 0.00 179.45 179.68 3k0z s ALA 40 N -3.19 0.28 -0.24 3.86 0.00 -1.05 -5.00 121.76 116.42 3k0z s ALA 40 Ca 0.05 -1.29 -0.09 0.00 0.00 0.00 0.00 51.96 50.64 3k0z s ALA 40 Cb 0.06 0.97 0.11 0.00 0.00 0.00 0.00 23.12 24.26 3k0z s ALA 40 CO 0.70 -0.86 0.53 0.99 0.00 0.00 0.00 175.76 177.11 3k0z s THR 42 N -2.64 -0.76 -0.19 0.00 2.01 -0.24 -1.64 115.64 112.18 3k0z s THR 42 Ca 0.25 0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 3k0z s THR 42 Cb -0.02 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 3k0z s THR 42 CO 0.18 0.04 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.45 3k0z s ILE 43 N 2.66 3.35 -0.23 1.82 -1.09 -1.26 0.01 121.20 126.45 3k0z s ILE 43 Ca -0.04 -0.52 -0.37 0.00 -2.23 0.00 0.00 60.65 57.49 3k0z s ILE 43 Cb -0.12 -2.49 -0.13 0.00 -1.58 0.00 0.00 42.46 38.14 3k0z s ILE 43 CO -0.16 0.46 1.92 -0.67 -1.23 0.00 0.00 174.94 175.26 3k0z n ASP 44 N 4.36 2.72 0.27 3.58 -0.08 -0.06 -4.86 116.55 122.47 3k0z n ASP 44 Ca -0.18 0.85 0.18 0.00 -1.51 0.00 0.00 54.79 54.13 3k0z n ASP 44 Cb 0.51 -1.26 0.93 0.00 2.34 0.00 0.00 41.12 43.64 3k0z n ASP 44 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3k0z h PRO 45 N 9.40 0.00 0.00 -0.67 0.11 -1.98 -2.59 132.00 136.27 3k0z h PRO 45 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3k0z h PRO 45 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3k0z h PRO 45 CO 0.97 0.00 -0.07 0.66 -0.21 0.00 0.00 178.00 179.36 3k0z h SER 46 N 0.00 0.00 -3.75 -2.05 4.64 -1.99 -3.45 113.55 106.95 3k0z h SER 46 Ca 0.00 -0.01 -0.51 0.00 -0.47 0.00 0.00 61.79 60.80 3k0z h SER 46 Cb 0.08 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.20 3k0z h SER 46 CO 0.00 0.00 0.54 -0.76 -0.87 0.00 0.00 176.83 175.75 3k0z s LEU 47 N -5.56 4.49 0.80 5.97 1.43 -0.98 -5.01 118.68 119.83 3k0z s LEU 47 Ca 0.08 2.39 -0.11 0.00 -1.03 0.00 0.00 54.13 55.45 3k0z s LEU 47 Cb 0.08 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.75 3k0z s LEU 47 CO 0.65 -0.31 1.12 -0.94 0.23 0.00 0.00 176.35 177.11 3k0z s SER 48 N -0.54 4.03 0.23 2.29 1.04 -1.26 -4.74 113.70 114.75 3k0z s SER 48 Ca 0.48 2.02 -0.07 0.00 0.48 0.00 0.00 55.95 58.86 3k0z s SER 48 Cb -0.34 -2.55 0.38 0.00 0.10 0.00 0.00 66.02 63.61 3k0z s SER 48 CO 0.43 -2.36 1.69 1.56 0.98 0.00 0.00 173.24 175.55 3k0z h GLN 49 N -1.13 0.25 -0.41 4.02 1.08 -1.96 0.58 115.11 117.54 3k0z h GLN 49 Ca -0.44 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 56.71 3k0z h GLN 49 Cb 1.25 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.61 3k0z h GLN 49 CO 0.48 0.16 0.15 -0.22 -0.95 0.00 0.00 178.83 178.45 3k0z h LYS 50 N 0.26 0.63 -0.39 1.46 3.64 -1.98 -1.21 116.57 118.98 3k0z h LYS 50 Ca 0.37 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3k0z h LYS 50 Cb 0.60 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3k0z h LYS 50 CO -0.47 0.61 0.15 0.93 -2.27 0.00 0.00 179.45 178.40 3k0z h GLU 51 N 0.53 0.58 -0.79 1.90 5.08 -1.67 -1.61 114.58 118.60 3k0z h GLU 51 Ca 0.14 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3k0z h GLU 51 Cb 0.23 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3k0z h GLU 51 CO -0.01 0.56 0.38 0.00 -1.00 0.00 0.00 179.01 178.94 3k0z h ALA 52 N 1.00 1.02 -0.42 3.43 0.00 -0.87 -3.10 119.26 120.31 3k0z h ALA 52 Ca 0.13 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3k0z h ALA 52 Cb 0.19 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3k0z h ALA 52 CO -0.01 0.58 -0.06 1.15 0.00 0.00 0.00 179.25 180.91 3k0z h THR 53 N 1.12 1.27 0.00 0.00 2.02 -0.99 -1.53 112.91 114.79 3k0z h THR 53 Ca 0.27 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.32 3k0z h THR 53 Cb 0.11 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3k0z h THR 53 CO -0.03 0.39 0.00 -1.84 0.37 0.00 0.00 175.52 174.40 3k0z n GLU 54 N -4.35 0.48 0.00 6.66 0.28 -0.62 -0.96 120.64 122.13 3k0z n GLU 54 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 3k0z n GLU 54 Cb 0.34 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 31.95 3k0z n GLU 54 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3k0z n VAL 56 N 0.93 0.00 -0.10 3.84 0.31 -0.58 -1.87 118.33 120.86 3k0z n VAL 56 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 3k0z n VAL 56 Cb 0.24 0.00 0.21 0.00 -0.91 0.00 0.00 33.84 33.38 3k0z n VAL 56 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3k0z h HIS 57 N 0.00 0.79 -0.62 3.52 -0.00 -1.31 0.70 115.15 118.23 3k0z h HIS 57 Ca 0.00 -0.08 -0.06 0.00 -0.00 0.00 0.00 60.37 60.23 3k0z h HIS 57 Cb 0.00 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.16 3k0z h HIS 57 CO 0.00 0.69 0.15 0.00 -0.00 0.00 0.00 177.93 178.77 3k0z h ALA 58 N 1.36 0.82 -0.48 2.45 0.00 -1.62 -1.12 119.26 120.68 3k0z h ALA 58 Ca 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3k0z h ALA 58 Cb 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3k0z h ALA 58 CO 0.00 0.54 0.22 0.00 0.00 0.00 0.00 179.25 180.01 3k0z h ALA 59 N 1.05 0.62 -0.73 0.00 0.00 -1.66 -0.33 119.26 118.21 3k0z h ALA 59 Ca 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k0z h ALA 59 Cb 0.36 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3k0z h ALA 59 CO 0.00 0.20 0.46 1.96 0.00 0.00 0.00 179.25 181.87 3k0z h GLN 60 N 0.63 0.98 -0.37 0.00 4.20 -0.51 -0.92 115.11 119.13 3k0z h GLN 60 Ca 0.16 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 3k0z h GLN 60 Cb 0.15 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3k0z h GLN 60 CO -0.02 0.68 -0.31 0.00 -0.67 0.00 0.00 178.83 178.52 3k0z h ARG 61 N 1.00 0.81 -0.26 1.46 3.08 -0.99 0.25 114.38 119.73 3k0z h ARG 61 Ca 0.26 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3k0z h ARG 61 Cb -0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3k0z h ARG 61 CO -0.05 1.00 0.11 0.35 -1.07 0.00 0.00 179.97 180.31 3k0z h PHE 62 N 0.68 0.38 0.00 3.04 3.57 -0.70 -1.41 116.94 122.50 3k0z h PHE 62 Ca 0.08 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 3k0z h PHE 62 Cb 0.85 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3k0z h PHE 62 CO 0.05 0.39 -0.36 1.88 -2.23 0.00 0.00 178.31 178.04 3k0z h TYR 63 N 0.27 0.00 -0.81 0.41 0.05 -1.01 -2.18 116.97 113.70 3k0z h TYR 63 Ca 0.09 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.89 3k0z h TYR 63 Cb 0.16 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.85 3k0z h TYR 63 CO -0.01 0.36 0.52 0.00 -1.05 0.00 0.00 178.16 177.98 3k0z h ALA 64 N 1.64 1.06 -0.02 3.88 0.00 -0.35 0.94 119.26 126.42 3k0z h ALA 64 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3k0z h ALA 64 Cb 1.10 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3k0z h ALA 64 CO 0.05 0.36 0.01 0.35 0.00 0.00 0.00 179.25 180.01 3k0z h PHE 65 N 1.03 0.03 -0.23 0.00 3.57 -0.95 0.69 116.94 121.08 3k0z h PHE 65 Ca 0.32 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 3k0z h PHE 65 Cb -0.01 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3k0z h PHE 65 CO -0.02 0.22 0.09 -1.49 -2.23 0.00 0.00 178.31 174.87 3k0z h TRP 66 N -0.17 0.31 -0.05 0.41 4.06 -1.22 0.59 115.95 119.89 3k0z h TRP 66 Ca 0.01 -0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.77 3k0z h TRP 66 Cb 0.20 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.25 3k0z h TRP 66 CO -0.01 0.26 -0.76 0.22 -3.56 0.00 0.00 178.44 174.60 3k0z h ASP 67 N 0.32 0.40 0.00 -3.49 3.58 -0.44 -3.40 116.42 113.40 3k0z h ASP 67 Ca 0.08 -0.28 -0.13 0.00 0.42 0.00 0.00 57.03 57.13 3k0z h ASP 67 Cb 0.08 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3k0z h ASP 67 CO -0.01 1.02 -1.59 0.35 -2.88 0.00 0.00 179.24 176.13 3k0z n THR 68 N -3.80 0.48 -1.02 2.25 -2.24 0.20 -4.76 114.28 105.39 3k0z n THR 68 Ca -0.04 -0.35 -0.01 0.00 -2.27 0.00 0.00 64.05 61.38 3k0z n THR 68 Cb 0.72 -0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3k0z n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k0z n GLY 69 N 2.31 0.42 3.55 3.38 0.00 0.20 -4.97 105.19 110.08 3k0z n GLY 69 Ca -0.12 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 3k0z n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k0z s LYS 70 N -0.81 2.78 0.63 1.61 3.01 -1.26 -4.86 119.74 120.84 3k0z s LYS 70 Ca 0.00 0.33 0.39 0.00 -1.01 0.00 0.00 55.97 55.68 3k0z s LYS 70 Cb 0.00 -4.37 2.11 0.00 -1.01 0.00 0.00 37.83 34.56 3k0z s LYS 70 CO 0.00 -2.60 2.29 0.93 0.51 0.00 0.00 175.35 176.48 3k0z h GLU 71 N 13.47 0.00 0.00 1.68 5.08 -1.94 -1.78 114.58 131.09 3k0z h GLU 71 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3k0z h GLU 71 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3k0z h GLU 71 CO 1.24 0.01 0.00 1.05 -1.00 0.00 0.00 179.01 180.31 3k0z h GLU 72 N 0.00 0.00 0.00 2.33 9.09 -2.04 -1.95 114.58 122.01 3k0z h GLU 72 Ca -0.00 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.29 3k0z h GLU 72 Cb 0.07 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.16 3k0z h GLU 72 CO 0.00 0.00 -0.56 -0.07 0.05 0.00 0.00 179.01 178.43 3k0z h LEU 73 N 0.00 0.00 0.12 3.06 3.38 -1.72 -3.37 115.31 116.79 3k0z h LEU 73 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3k0z h LEU 73 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3k0z h LEU 73 CO 0.00 0.56 -0.34 0.40 0.09 0.00 0.00 178.44 179.15 3k0z h ILE 74 N 0.00 0.29 0.00 1.22 2.04 -1.53 -0.01 117.51 119.52 3k0z h ILE 74 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3k0z h ILE 74 Cb 0.99 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3k0z h ILE 74 CO 0.07 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.41 3k0z n PRO 75 N -5.43 0.06 0.00 2.37 -0.04 -1.26 -1.14 135.00 129.56 3k0z n PRO 75 Ca -0.07 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 3k0z n PRO 75 Cb 0.34 -1.65 0.39 0.00 -0.04 0.00 0.00 33.50 32.54 3k0z n PRO 75 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3k0z n GLN 76 N -1.77 0.38 -0.00 0.54 6.02 -0.09 -4.58 117.38 117.88 3k0z n GLN 76 Ca 0.02 -0.19 -0.00 0.00 -0.01 0.00 0.00 57.00 56.81 3k0z n GLN 76 Cb 0.13 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.89 3k0z n GLN 76 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3k0z n THR 77 N -1.14 0.02 -4.39 5.09 -1.04 -0.30 -4.94 114.28 107.59 3k0z n THR 77 Ca 0.09 -0.01 -0.26 0.00 -2.04 0.00 0.00 64.05 61.83 3k0z n THR 77 Cb 0.33 -0.80 -0.10 0.00 -1.82 0.00 0.00 70.33 67.94 3k0z n THR 77 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3k0z s VAL 78 N -2.01 2.68 0.67 12.58 -7.23 -0.45 -1.12 120.40 125.52 3k0z s VAL 78 Ca -0.01 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.05 3k0z s VAL 78 Cb 0.00 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 3k0z s VAL 78 CO 0.01 -0.19 1.05 0.42 -0.31 0.00 0.00 175.10 176.08 3k0z s THR 79 N -1.90 4.21 0.44 5.32 -4.23 -0.76 -4.59 115.64 114.13 3k0z s THR 79 Ca 0.24 0.72 0.20 0.00 -1.18 0.00 0.00 61.69 61.67 3k0z s THR 79 Cb -0.07 -3.60 0.22 0.00 1.34 0.00 0.00 72.50 70.39 3k0z s THR 79 CO 0.13 -0.94 2.02 1.05 -0.54 0.00 0.00 174.62 176.35 3k0z h GLU 80 N -0.56 0.00 -0.87 3.99 9.09 -1.95 -1.28 114.58 123.00 3k0z h GLU 80 Ca -0.44 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 58.63 3k0z h GLU 80 Cb 1.21 0.00 -0.20 0.00 -1.65 0.00 0.00 28.75 28.11 3k0z h GLU 80 CO 0.60 0.16 0.43 0.27 0.05 0.00 0.00 179.01 180.53 3k0z n ASN 81 N -4.05 4.35 -4.55 3.06 2.04 -1.26 -4.71 115.26 110.14 3k0z n ASN 81 Ca -0.02 -3.35 -0.50 0.00 -0.44 0.00 0.00 54.58 50.26 3k0z n ASN 81 Cb 0.24 -0.78 -0.04 0.00 -2.53 0.00 0.00 39.78 36.67 3k0z n ASN 81 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 3k0z n PHE 82 N -0.55 1.00 -3.90 -2.53 7.35 -0.49 -4.96 117.46 113.39 3k0z n PHE 82 Ca 0.48 0.77 -0.23 0.00 -0.76 0.00 0.00 57.45 57.71 3k0z n PHE 82 Cb 1.50 -2.22 -0.17 0.00 0.35 0.00 0.00 39.48 38.94 3k0z n PHE 82 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 3k0z s PHE 83 N -0.26 0.81 -0.36 -5.13 2.19 -0.89 -4.08 117.98 110.26 3k0z s PHE 83 Ca 0.75 -0.26 -0.20 0.00 0.33 0.00 0.00 56.93 57.55 3k0z s PHE 83 Cb -0.92 -0.82 0.00 0.00 -1.31 0.00 0.00 43.02 39.97 3k0z s PHE 83 CO 0.53 -0.31 0.61 0.34 1.83 0.00 0.00 175.22 178.22 3k0z s ASP 84 N 1.63 6.39 0.00 6.13 -1.08 -1.26 -1.89 116.67 126.60 3k0z s ASP 84 Ca 0.00 0.06 0.21 0.00 -0.52 0.00 0.00 52.55 52.31 3k0z s ASP 84 Cb -0.13 -2.31 0.90 0.00 -1.46 0.00 0.00 42.92 39.92 3k0z s ASP 84 CO -0.04 -0.59 1.68 1.41 0.52 0.00 0.00 175.17 178.15 3k0z n HIS 85 N 6.00 0.01 -3.17 -5.34 8.25 -0.13 -4.16 115.22 116.68 3k0z n HIS 85 Ca -0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.23 3k0z n HIS 85 Cb 0.49 -0.51 -0.04 0.00 1.12 0.00 0.00 29.99 31.05 3k0z n HIS 85 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3k0z n THR 86 N -1.51 0.39 -2.58 1.59 -2.24 -1.26 -5.01 114.28 103.66 3k0z n THR 86 Ca 0.05 -4.65 -0.43 0.00 -2.27 0.00 0.00 64.05 56.75 3k0z n THR 86 Cb 0.25 -0.97 -0.02 0.00 -2.10 0.00 0.00 70.33 67.49 3k0z n THR 86 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3k0z s LEU 87 N -2.30 4.09 0.54 3.22 2.96 -1.26 -4.73 118.68 121.19 3k0z s LEU 87 Ca 0.40 1.41 -0.20 0.00 -0.22 0.00 0.00 54.13 55.52 3k0z s LEU 87 Cb 0.28 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.36 3k0z s LEU 87 CO -0.09 -0.75 0.92 -2.65 -1.32 0.00 0.00 176.35 172.46 3k0z n PRO 88 N 6.53 1.00 -1.83 0.98 -0.02 -1.26 -4.87 135.00 135.52 3k0z n PRO 88 Ca 0.13 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 3k0z n PRO 88 Cb 0.46 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 3k0z n PRO 88 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3k0z s LYS 89 N -2.44 4.16 0.00 -0.52 0.00 -1.26 -1.58 119.74 118.10 3k0z s LYS 89 Ca 0.71 2.50 0.00 0.00 0.00 0.00 0.00 55.97 59.18 3k0z s LYS 89 Cb -0.46 -3.08 0.00 0.00 0.00 0.00 0.00 37.83 34.29 3k0z s LYS 89 CO 0.51 -0.63 0.00 0.41 0.00 0.00 0.00 175.35 175.64 3k0z n GLY 90 N 2.98 3.07 3.70 0.59 0.00 -1.26 -5.04 105.19 109.23 3k0z n GLY 90 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3k0z n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k0z s ARG 91 N -0.70 4.44 0.66 1.61 3.52 -0.62 -5.03 118.95 122.82 3k0z s ARG 91 Ca 0.00 1.15 -0.17 0.00 -0.13 0.00 0.00 55.73 56.57 3k0z s ARG 91 Cb 0.00 -3.50 -0.00 0.00 -1.56 0.00 0.00 34.95 29.89 3k0z s ARG 91 CO 0.00 -0.12 1.25 -2.14 -0.81 0.00 0.00 175.30 173.48 3k0z s PRO 92 N 1.38 2.54 0.60 5.12 0.02 -1.26 -4.79 135.00 138.60 3k0z s PRO 92 Ca 0.43 1.92 -0.17 0.00 0.02 0.00 0.00 61.00 63.21 3k0z s PRO 92 Cb -0.18 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.44 3k0z s PRO 92 CO 0.19 -1.57 1.10 -1.14 -0.33 0.00 0.00 177.00 175.25 3k0z s GLN 93 N -3.51 3.14 1.01 5.54 2.00 -1.26 -3.82 119.66 122.77 3k0z s GLN 93 Ca 0.79 1.41 0.00 0.00 -2.00 0.00 0.00 55.36 55.56 3k0z s GLN 93 Cb -0.34 -1.99 0.00 0.00 0.80 0.00 0.00 33.01 31.48 3k0z s GLN 93 CO 0.40 -0.98 0.00 0.41 -0.50 0.00 0.00 175.29 174.62 3k0z n GLY 94 N -0.40 -1.91 0.35 2.59 0.00 -1.26 -3.63 105.19 100.93 3k0z n GLY 94 Ca 0.10 -1.53 0.04 0.00 0.00 0.00 0.00 46.02 44.64 3k0z n GLY 94 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3k0z h THR 95 N 0.00 1.08 -0.40 2.61 1.35 -1.84 -1.24 112.91 114.46 3k0z h THR 95 Ca 0.00 -0.28 0.03 0.00 -0.55 0.00 0.00 66.41 65.61 3k0z h THR 95 Cb 0.00 0.19 -0.02 0.00 -1.73 0.00 0.00 68.15 66.59 3k0z h THR 95 CO 0.00 0.15 0.27 -0.33 -0.25 0.00 0.00 175.52 175.36 3k0z h GLU 96 N 0.82 0.40 0.00 4.72 4.39 -1.91 -1.96 114.58 121.04 3k0z h GLU 96 Ca 0.29 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.84 3k0z h GLU 96 Cb 0.11 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3k0z h GLU 96 CO -0.09 0.27 -0.58 0.78 -1.16 0.00 0.00 179.01 178.23 3k0z h GLY 97 N 0.41 0.00 0.91 -3.84 0.00 -1.29 -1.80 103.07 97.47 3k0z h GLY 97 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 3k0z h GLY 97 CO -0.04 0.00 0.07 1.41 0.00 0.00 0.00 176.54 177.98 3k0z h LEU 98 N 0.00 0.55 -0.59 3.11 3.38 -1.18 -1.86 115.31 118.73 3k0z h LEU 98 Ca -0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3k0z h LEU 98 Cb 1.16 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3k0z h LEU 98 CO 0.08 0.66 0.23 0.11 0.09 0.00 0.00 178.44 179.61 3k0z h LYS 99 N 0.42 0.88 -0.01 1.13 1.57 -1.44 -2.68 116.57 116.44 3k0z h LYS 99 Ca 0.11 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3k0z h LYS 99 Cb 0.34 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3k0z h LYS 99 CO 0.00 0.75 -0.03 0.35 -0.57 0.00 0.00 179.45 179.96 3k0z h PHE 100 N 0.81 -0.06 -0.60 -1.35 3.57 -1.29 -2.99 116.94 115.03 3k0z h PHE 100 Ca 0.20 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3k0z h PHE 100 Cb 0.20 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 3k0z h PHE 100 CO 0.01 -0.04 0.33 0.00 -2.23 0.00 0.00 178.31 176.38 3k0z h ALA 101 N 0.96 0.77 -0.39 2.41 0.00 -1.28 0.48 119.26 122.22 3k0z h ALA 101 Ca 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3k0z h ALA 101 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3k0z h ALA 101 CO -0.03 0.29 0.23 0.00 0.00 0.00 0.00 179.25 179.73 3k0z h ALA 102 N 1.15 0.50 -0.25 0.00 0.00 -1.51 -1.00 119.26 118.15 3k0z h ALA 102 Ca 0.21 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 3k0z h ALA 102 Cb 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3k0z h ALA 102 CO -0.03 0.00 -0.62 1.96 0.00 0.00 0.00 179.25 180.56 3k0z h GLN 103 N 0.50 0.86 -0.27 0.00 4.20 -1.36 -3.14 115.11 115.91 3k0z h GLN 103 Ca 0.14 -0.59 -0.04 0.00 0.06 0.00 0.00 58.65 58.22 3k0z h GLN 103 Cb 0.02 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3k0z h GLN 103 CO -0.02 1.22 0.03 -0.97 -0.67 0.00 0.00 178.83 178.41 3k0z h ASN 104 N 0.63 0.45 -0.63 1.46 -1.24 -0.79 -2.87 115.58 112.60 3k0z h ASN 104 Ca -0.01 -0.28 0.05 0.00 0.71 0.00 0.00 56.30 56.78 3k0z h ASN 104 Cb 1.24 -0.12 -0.05 0.00 0.73 0.00 0.00 38.32 40.12 3k0z h ASN 104 CO 0.13 0.61 0.35 0.15 -1.29 0.00 0.00 177.43 177.39 3k0z h PHE 105 N 0.26 0.65 0.00 0.67 3.04 -1.25 -2.64 116.94 117.67 3k0z h PHE 105 Ca 0.08 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.05 3k0z h PHE 105 Cb 0.36 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.67 3k0z h PHE 105 CO 0.03 0.33 0.00 0.00 -2.02 0.00 0.00 178.31 176.64 3k0z h ARG 106 N 0.67 0.00 0.00 1.11 3.08 -1.45 -1.11 114.38 116.68 3k0z h ARG 106 Ca 0.27 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.27 3k0z h ARG 106 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3k0z h ARG 106 CO -0.16 0.00 -0.28 0.87 -1.07 0.00 0.00 179.97 179.34 3k0z h LYS 107 N 0.00 0.00 0.00 0.04 1.57 -1.31 -2.98 116.57 113.89 3k0z h LYS 107 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 3k0z h LYS 107 Cb 0.31 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 3k0z h LYS 107 CO 0.00 0.28 -2.19 -0.89 -0.57 0.00 0.00 179.45 176.08 3k0z n ILE 108 N -4.02 1.19 -3.53 1.86 2.08 -0.86 -4.85 119.36 111.23 3k0z n ILE 108 Ca -0.02 -0.44 -0.27 0.00 0.56 0.00 0.00 62.75 62.59 3k0z n ILE 108 Cb 0.34 -1.30 -0.10 0.00 -0.75 0.00 0.00 39.64 37.83 3k0z n ILE 108 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3k0z n VAL 109 N -3.21 0.57 0.18 1.39 0.31 -0.48 -4.94 118.33 112.15 3k0z n VAL 109 Ca -0.38 -4.38 0.03 0.00 -0.01 0.00 0.00 64.34 59.61 3k0z n VAL 109 Cb 0.88 -1.98 0.33 0.00 -0.91 0.00 0.00 33.84 32.16 3k0z n VAL 109 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3k0z h PRO 110 N 4.96 0.00 -5.26 5.55 0.13 -1.74 -3.35 132.00 132.29 3k0z h PRO 110 Ca 0.18 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.62 3k0z h PRO 110 Cb 0.80 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.78 3k0z h PRO 110 CO 0.60 0.42 1.40 1.21 -0.23 0.00 0.00 178.00 181.40 3k0z s ASN 111 N -6.70 6.81 0.02 1.44 2.47 -1.26 -4.94 114.94 112.78 3k0z s ASN 111 Ca -0.02 -2.37 0.01 0.00 0.42 0.00 0.00 52.86 50.90 3k0z s ASN 111 Cb 0.13 -2.46 -0.01 0.00 -1.45 0.00 0.00 41.25 37.45 3k0z s ASN 111 CO 0.71 -1.04 -0.04 -0.51 -3.72 0.00 0.00 177.10 172.50 3k0z s ILE 112 N 2.95 0.28 -0.06 -5.21 1.10 -1.26 -2.05 121.20 116.95 3k0z s ILE 112 Ca 0.43 -0.61 -0.06 0.00 -0.51 0.00 0.00 60.65 59.89 3k0z s ILE 112 Cb -0.02 -0.33 0.02 0.00 0.15 0.00 0.00 42.46 42.28 3k0z s ILE 112 CO -0.03 -0.22 0.17 -1.00 -2.11 0.00 0.00 174.94 171.75 3k0z s HIS 113 N -0.83 -0.17 -0.10 3.50 3.76 -0.21 -4.98 115.29 116.26 3k0z s HIS 113 Ca -0.07 0.42 0.04 0.00 -0.15 0.00 0.00 55.06 55.30 3k0z s HIS 113 Cb -0.06 0.06 -0.00 0.00 1.11 0.00 0.00 32.58 33.68 3k0z s HIS 113 CO -0.00 -0.11 -0.23 0.00 -0.85 0.00 0.00 174.74 173.55 3k0z s GLU 115 N 0.29 1.13 -0.43 0.00 2.02 -0.29 -4.82 118.70 116.60 3k0z s GLU 115 Ca -0.17 -0.94 -0.20 0.00 0.02 0.00 0.00 54.97 53.68 3k0z s GLU 115 Cb -0.17 -1.24 0.02 0.00 0.10 0.00 0.00 34.13 32.84 3k0z s GLU 115 CO 0.08 0.30 0.59 0.42 0.02 0.00 0.00 175.26 176.68 3k0z s ILE 116 N -0.96 4.89 0.10 -1.63 1.01 -1.26 -1.18 121.20 122.17 3k0z s ILE 116 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 3k0z s ILE 116 Cb -0.09 -4.17 -0.23 0.00 0.01 0.00 0.00 42.46 37.99 3k0z s ILE 116 CO 0.02 -0.56 1.23 -0.33 0.00 0.00 0.00 174.94 175.30 3k0z h GLU 117 N 8.84 0.45 -2.23 2.79 4.39 -0.78 -1.16 114.58 126.88 3k0z h GLU 117 Ca -0.26 -0.55 -0.07 0.00 0.34 0.00 0.00 59.36 58.83 3k0z h GLU 117 Cb 1.10 0.17 -0.22 0.00 -0.10 0.00 0.00 28.75 29.70 3k0z h GLU 117 CO 0.87 1.20 0.03 0.34 -1.16 0.00 0.00 179.01 180.29 3k0z s ASP 118 N -7.18 -0.64 -0.10 1.42 2.15 -1.09 -2.54 116.67 108.69 3k0z s ASP 118 Ca -0.06 1.18 -0.00 0.00 0.43 0.00 0.00 52.55 54.10 3k0z s ASP 118 Cb 0.08 1.19 0.02 0.00 -0.30 0.00 0.00 42.92 43.91 3k0z s ASP 118 CO 0.89 -0.26 -0.07 -0.22 -0.17 0.00 0.00 175.17 175.33 3k0z s LEU 119 N 0.15 1.19 -0.24 -1.34 2.96 -0.65 -1.15 118.68 119.60 3k0z s LEU 119 Ca -0.01 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3k0z s LEU 119 Cb -0.04 -0.79 0.01 0.00 0.50 0.00 0.00 46.19 45.87 3k0z s LEU 119 CO 0.02 -0.10 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.14 3k0z s LEU 120 N 1.56 3.07 -0.22 -0.68 1.43 0.30 -1.08 118.68 123.06 3k0z s LEU 120 Ca 0.02 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 3k0z s LEU 120 Cb -0.13 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.41 3k0z s LEU 120 CO -0.06 -0.08 -0.11 -0.69 0.23 0.00 0.00 176.35 175.64 3k0z s VAL 121 N 1.40 2.63 -0.21 -1.59 1.01 0.10 -0.88 120.40 122.85 3k0z s VAL 121 Ca 0.03 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 3k0z s VAL 121 Cb -0.15 -2.26 0.06 0.00 0.00 0.00 0.00 36.38 34.03 3k0z s VAL 121 CO -0.04 0.33 0.54 0.54 0.00 0.00 0.00 175.10 176.47 3k0z s VAL 122 N 1.32 -0.01 0.00 2.92 0.11 -0.65 -0.88 120.40 123.21 3k0z s VAL 122 Ca 0.02 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 3k0z s VAL 122 Cb -0.15 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 3k0z s VAL 122 CO -0.07 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.32 3k0z n GLY 123 N 3.53 4.04 0.99 6.54 0.00 -1.26 -1.05 105.19 117.98 3k0z n GLY 123 Ca -0.18 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3k0z n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k0z n ASP 124 N 7.63 4.02 -4.33 1.61 8.00 -1.26 -5.01 116.55 127.21 3k0z n ASP 124 Ca 0.00 -2.91 -0.29 0.00 0.71 0.00 0.00 54.79 52.29 3k0z n ASP 124 Cb 0.00 -0.53 -0.14 0.00 -0.02 0.00 0.00 41.12 40.42 3k0z n ASP 124 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3k0z s LYS 125 N -2.65 1.70 -0.08 -1.24 -0.14 -0.22 -1.00 119.74 116.12 3k0z s LYS 125 Ca 0.42 -1.10 0.02 0.00 -1.36 0.00 0.00 55.97 53.95 3k0z s LYS 125 Cb 0.33 -1.89 0.01 0.00 -1.68 0.00 0.00 37.83 34.60 3k0z s LYS 125 CO 0.10 0.48 -0.12 0.08 -0.76 0.00 0.00 175.35 175.14 3k0z s VAL 126 N -0.83 1.15 -0.18 3.17 1.01 -0.04 -1.64 120.40 123.03 3k0z s VAL 126 Ca 0.11 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 3k0z s VAL 126 Cb -0.10 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3k0z s VAL 126 CO 0.02 0.36 0.05 -0.89 0.00 0.00 0.00 175.10 174.65 3k0z s THR 127 N 0.83 4.68 -0.06 3.92 2.01 -0.06 -0.32 115.64 126.64 3k0z s THR 127 Ca -0.11 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 61.87 3k0z s THR 127 Cb -0.15 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 3k0z s THR 127 CO 0.02 0.46 -0.21 0.00 -0.69 0.00 0.00 174.62 174.19 3k0z s ALA 128 N 0.43 2.32 -0.20 7.40 0.00 -0.05 -0.54 121.76 131.12 3k0z s ALA 128 Ca 0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 3k0z s ALA 128 Cb -0.13 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 3k0z s ALA 128 CO 0.01 0.43 -0.04 0.50 0.00 0.00 0.00 175.76 176.66 3k0z s ARG 129 N -0.24 3.49 0.13 0.00 3.52 -0.30 -0.69 118.95 124.85 3k0z s ARG 129 Ca -0.01 -0.59 0.07 0.00 -0.13 0.00 0.00 55.73 55.08 3k0z s ARG 129 Cb -0.13 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 3k0z s ARG 129 CO 0.03 -0.05 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.91 3k0z s LEU 130 N 1.11 3.20 -0.08 -0.88 2.01 0.28 -0.03 118.68 124.30 3k0z s LEU 130 Ca 0.02 -0.37 0.05 0.00 0.01 0.00 0.00 54.13 53.83 3k0z s LEU 130 Cb -0.15 -1.93 -0.00 0.00 0.01 0.00 0.00 46.19 44.12 3k0z s LEU 130 CO 0.00 0.14 -0.24 -0.94 1.01 0.00 0.00 176.35 176.32 3k0z s SER 131 N -2.54 3.02 -0.16 2.29 1.04 -0.32 -2.08 113.70 114.95 3k0z s SER 131 Ca 0.25 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.15 3k0z s SER 131 Cb -0.10 -1.14 0.00 0.00 0.10 0.00 0.00 66.02 64.88 3k0z s SER 131 CO 0.16 0.19 -0.16 -0.36 0.98 0.00 0.00 173.24 174.05 3k0z s PHE 132 N 0.13 2.78 0.06 5.02 0.08 0.49 -1.13 117.98 125.41 3k0z s PHE 132 Ca -0.12 -1.13 0.03 0.00 0.12 0.00 0.00 56.93 55.83 3k0z s PHE 132 Cb -0.16 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.37 3k0z s PHE 132 CO 0.06 -0.52 -0.09 0.95 -0.10 0.00 0.00 175.22 175.52 3k0z s THR 133 N 0.89 0.70 -1.51 0.64 -4.23 -0.34 -1.22 115.64 110.58 3k0z s THR 133 Ca -0.04 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 3k0z s THR 133 Cb -0.15 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.71 3k0z s THR 133 CO -0.02 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 3k0z n GLY 134 N 1.03 -0.72 3.18 3.99 0.00 -0.50 -1.04 105.19 111.12 3k0z n GLY 134 Ca -0.20 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 3k0z n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k0z s THR 135 N -4.00 0.16 -0.16 2.61 -4.23 -0.87 -1.21 115.64 107.94 3k0z s THR 135 Ca 0.00 -1.29 -0.08 0.00 -1.18 0.00 0.00 61.69 59.15 3k0z s THR 135 Cb 0.00 -1.33 0.06 0.00 1.34 0.00 0.00 72.50 72.57 3k0z s THR 135 CO 0.00 -0.71 0.37 -2.28 -0.54 0.00 0.00 174.62 171.46 3k0z s HIS 136 N -3.75 -0.57 0.00 3.99 5.04 -0.01 -4.52 115.29 115.46 3k0z s HIS 136 Ca 0.04 1.22 0.00 0.00 -1.54 0.00 0.00 55.06 54.78 3k0z s HIS 136 Cb 0.05 0.21 0.00 0.00 0.04 0.00 0.00 32.58 32.88 3k0z s HIS 136 CO -0.10 -0.35 0.00 0.09 -2.34 0.00 0.00 174.74 172.04 3k0z n ASN 137 N 4.54 0.00 -2.18 9.88 3.02 -1.26 -0.49 115.26 128.77 3k0z n ASN 137 Ca -0.20 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.07 3k0z n ASN 137 Cb 0.53 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.82 3k0z n ASN 137 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3k0z n ASP 138 N 2.74 5.70 -4.15 6.41 5.75 -1.26 -4.96 116.55 126.78 3k0z n ASP 138 Ca 0.00 -3.73 -0.20 0.00 -0.01 0.00 0.00 54.79 50.86 3k0z n ASP 138 Cb 0.00 -0.86 -0.13 0.00 -1.03 0.00 0.00 41.12 39.10 3k0z n ASP 138 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3k0z s LYS 139 N -3.58 0.90 0.15 0.11 3.01 0.36 -5.13 119.74 115.56 3k0z s LYS 139 Ca 0.60 -0.82 -0.30 0.00 -1.01 0.00 0.00 55.97 54.43 3k0z s LYS 139 Cb 0.48 -0.91 -0.07 0.00 -1.01 0.00 0.00 37.83 36.32 3k0z s LYS 139 CO 0.04 0.22 1.09 -1.59 0.51 0.00 0.00 175.35 175.62 3k0z s LYS 140 N -1.33 4.58 -0.15 1.68 0.00 -1.26 -0.83 119.74 122.42 3k0z s LYS 140 Ca 0.00 1.68 -0.05 0.00 0.00 0.00 0.00 55.97 57.61 3k0z s LYS 140 Cb -0.09 -3.31 -0.03 0.00 0.00 0.00 0.00 37.83 34.41 3k0z s LYS 140 CO 0.02 0.03 0.00 0.42 0.00 0.00 0.00 175.35 175.82 3k0z s ILE 141 N 0.04 4.29 -0.30 3.79 -1.09 -0.35 -4.87 121.20 122.71 3k0z s ILE 141 Ca 0.51 -0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.69 3k0z s ILE 141 Cb -0.28 -2.88 0.19 0.00 -1.58 0.00 0.00 42.46 37.90 3k0z s ILE 141 CO 0.33 0.51 0.69 -0.62 -1.23 0.00 0.00 174.94 174.62 3k0z s ASP 142 N 0.10 -1.28 0.10 3.58 -1.08 -1.25 -1.40 116.67 115.44 3k0z s ASP 142 Ca 0.02 0.48 -0.06 0.00 -0.52 0.00 0.00 52.55 52.47 3k0z s ASP 142 Cb -0.13 1.94 -0.02 0.00 -1.46 0.00 0.00 42.92 43.26 3k0z s ASP 142 CO 0.02 -0.24 0.15 0.72 0.52 0.00 0.00 175.17 176.34 3k0z s PHE 143 N 2.87 0.38 0.36 -5.34 -0.71 -0.36 -4.91 117.98 110.27 3k0z s PHE 143 Ca 0.15 -0.81 0.09 0.00 -1.04 0.00 0.00 56.93 55.31 3k0z s PHE 143 Cb -0.11 -0.18 -0.06 0.00 -1.21 0.00 0.00 43.02 41.45 3k0z s PHE 143 CO -0.22 -0.55 0.02 -0.59 -1.34 0.00 0.00 175.22 172.54 3k0z s PHE 144 N -3.92 2.53 0.05 3.49 -0.71 -1.26 -0.38 117.98 117.77 3k0z s PHE 144 Ca 0.11 -0.50 -0.05 0.00 -1.04 0.00 0.00 56.93 55.45 3k0z s PHE 144 Cb 0.05 -1.57 -0.01 0.00 -1.21 0.00 0.00 43.02 40.28 3k0z s PHE 144 CO -0.07 0.45 0.09 0.00 -1.34 0.00 0.00 175.22 174.36 3k0z s ALA 145 N -2.57 0.01 -0.05 1.99 0.00 -0.88 -1.18 121.76 119.08 3k0z s ALA 145 Ca 0.35 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.66 3k0z s ALA 145 Cb 0.02 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.45 3k0z s ALA 145 CO 0.19 -0.36 -0.10 0.42 0.00 0.00 0.00 175.76 175.91 3k0z s ILE 146 N -3.04 0.95 0.03 0.00 1.01 -0.53 -0.56 121.20 119.05 3k0z s ILE 146 Ca -0.01 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.30 3k0z s ILE 146 Cb 0.01 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 3k0z s ILE 146 CO -0.07 0.30 -0.17 -1.81 0.00 0.00 0.00 174.94 173.20 3k0z s ASP 147 N 0.52 2.02 -0.20 3.58 1.11 0.13 -1.23 116.67 122.60 3k0z s ASP 147 Ca -0.10 -0.43 -0.02 0.00 0.18 0.00 0.00 52.55 52.18 3k0z s ASP 147 Cb -0.13 -0.17 0.00 0.00 1.07 0.00 0.00 42.92 43.69 3k0z s ASP 147 CO 0.02 0.12 -0.11 -0.63 1.18 0.00 0.00 175.17 175.76 3k0z s ILE 148 N -0.70 2.86 -0.10 0.77 1.01 0.14 -0.87 121.20 124.30 3k0z s ILE 148 Ca 0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 3k0z s ILE 148 Cb -0.08 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 3k0z s ILE 148 CO 0.01 0.47 -0.07 -0.76 0.00 0.00 0.00 174.94 174.59 3k0z s LEU 149 N 1.35 3.12 -0.26 2.97 1.43 0.57 -1.37 118.68 126.49 3k0z s LEU 149 Ca 0.05 -0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 3k0z s LEU 149 Cb -0.14 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 3k0z s LEU 149 CO -0.06 0.28 0.17 -2.28 0.23 0.00 0.00 176.35 174.68 3k0z s HIS 150 N -0.29 3.25 -0.12 0.29 2.46 -0.62 -0.86 115.29 119.40 3k0z s HIS 150 Ca 0.04 0.13 0.02 0.00 0.47 0.00 0.00 55.06 55.72 3k0z s HIS 150 Cb -0.13 -2.32 -0.00 0.00 -0.13 0.00 0.00 32.58 30.00 3k0z s HIS 150 CO 0.02 -0.07 -0.19 0.08 -2.47 0.00 0.00 174.74 172.11 3k0z s VAL 151 N 1.42 2.44 -0.09 0.89 1.01 -0.17 -0.58 120.40 125.33 3k0z s VAL 151 Ca 0.07 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3k0z s VAL 151 Cb -0.15 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.27 3k0z s VAL 151 CO 0.08 0.54 -0.11 -1.59 0.00 0.00 0.00 175.10 174.02 3k0z s LYS 152 N 0.44 1.68 -1.55 2.72 -2.85 0.21 -4.76 119.74 115.63 3k0z s LYS 152 Ca -0.14 -0.37 -0.12 0.00 -1.00 0.00 0.00 55.97 54.34 3k0z s LYS 152 Cb -0.17 -1.52 0.09 0.00 -2.06 0.00 0.00 37.83 34.17 3k0z s LYS 152 CO 0.06 -0.10 0.81 -0.25 0.10 0.00 0.00 175.35 175.98 3k0z n ASP 153 N 4.28 -3.31 0.00 0.03 8.00 -1.26 -1.68 116.55 122.62 3k0z n ASP 153 Ca -0.19 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.42 3k0z n ASP 153 Cb 0.51 -3.42 0.00 0.00 -0.02 0.00 0.00 41.12 38.19 3k0z n ASP 153 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k0z n GLY 154 N -1.63 0.67 3.24 0.44 0.00 -1.26 -5.02 105.19 101.63 3k0z n GLY 154 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 3k0z n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k0z s LYS 155 N -0.08 1.00 -0.16 1.61 1.02 -0.67 -4.64 119.74 117.81 3k0z s LYS 155 Ca 0.00 -1.10 -0.28 0.00 0.02 0.00 0.00 55.97 54.61 3k0z s LYS 155 Cb 0.00 -1.14 -0.01 0.00 -0.52 0.00 0.00 37.83 36.17 3k0z s LYS 155 CO 0.00 0.26 0.97 0.42 -0.92 0.00 0.00 175.35 176.07 3k0z s ILE 156 N -1.30 4.78 -0.12 2.17 1.01 -0.27 -0.62 121.20 126.84 3k0z s ILE 156 Ca 0.04 1.92 0.15 0.00 0.00 0.00 0.00 60.65 62.76 3k0z s ILE 156 Cb -0.09 -4.26 -0.24 0.00 0.01 0.00 0.00 42.46 37.87 3k0z s ILE 156 CO 0.03 -0.05 0.36 0.35 0.00 0.00 0.00 174.94 175.63 3k0z n THR 157 N 4.85 1.50 -3.55 2.92 -2.24 0.25 -1.83 114.28 116.18 3k0z n THR 157 Ca 0.09 -0.83 -0.10 0.00 -2.27 0.00 0.00 64.05 60.94 3k0z n THR 157 Cb 0.48 -0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 67.94 3k0z n THR 157 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3k0z s GLU 158 N -2.54 1.30 0.22 -0.78 -1.05 -1.24 -2.09 118.70 112.53 3k0z s GLU 158 Ca -0.08 -0.56 -0.14 0.00 -0.15 0.00 0.00 54.97 54.04 3k0z s GLU 158 Cb 0.07 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.31 3k0z s GLU 158 CO 0.83 -0.58 0.47 0.16 0.95 0.00 0.00 175.26 177.08 3k0z s ASP 159 N -2.75 -0.12 -0.05 0.83 -4.77 -0.79 -1.59 116.67 107.43 3k0z s ASP 159 Ca 0.05 -0.80 -0.01 0.00 -3.30 0.00 0.00 52.55 48.49 3k0z s ASP 159 Cb -0.02 0.57 0.03 0.00 -1.09 0.00 0.00 42.92 42.40 3k0z s ASP 159 CO -0.07 -1.09 0.01 0.26 0.70 0.00 0.00 175.17 174.99 3k0z s TRP 160 N -3.97 0.39 0.11 2.11 0.51 -0.47 -0.96 118.94 116.66 3k0z s TRP 160 Ca 0.18 -0.00 -0.13 0.00 -2.12 0.00 0.00 56.10 54.03 3k0z s TRP 160 Cb -0.00 -0.58 0.02 0.00 -0.81 0.00 0.00 33.47 32.10 3k0z s TRP 160 CO 0.05 -0.22 0.32 -3.38 -0.51 0.00 0.00 176.95 173.21 3k0z s HIS 161 N 1.65 -0.07 -0.14 -1.98 -3.43 -1.26 0.29 115.29 110.35 3k0z s HIS 161 Ca -0.01 -0.29 -0.07 0.00 -0.80 0.00 0.00 55.06 53.89 3k0z s HIS 161 Cb -0.13 0.13 0.05 0.00 -1.43 0.00 0.00 32.58 31.21 3k0z s HIS 161 CO -0.03 -0.64 0.33 -1.17 -2.00 0.00 0.00 174.74 171.23 3k0z s LEU 162 N -2.81 0.14 0.03 5.38 2.96 -0.36 -4.87 118.68 119.16 3k0z s LEU 162 Ca 0.03 0.72 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 3k0z s LEU 162 Cb 0.03 1.06 -0.04 0.00 0.50 0.00 0.00 46.19 47.74 3k0z s LEU 162 CO -0.11 -0.18 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.10 3k0z s GLU 163 N 1.34 2.60 -1.37 1.98 8.01 -1.26 -1.46 118.70 128.54 3k0z s GLU 163 Ca -0.09 -0.74 -0.15 0.00 0.01 0.00 0.00 54.97 53.99 3k0z s GLU 163 Cb -0.09 -2.56 0.07 0.00 -4.31 0.00 0.00 34.13 27.24 3k0z s GLU 163 CO -0.11 0.58 1.97 -3.47 0.01 0.00 0.00 175.26 174.24 3k0z n ASP 164 N 1.14 4.45 0.16 -0.19 2.03 -0.32 -4.74 116.55 119.08 3k0z n ASP 164 Ca -0.14 -2.90 0.01 0.00 0.52 0.00 0.00 54.79 52.28 3k0z n ASP 164 Cb 0.52 -1.68 0.26 0.00 -0.72 0.00 0.00 41.12 39.50 3k0z n ASP 164 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3k0z h ASN 165 N 6.69 0.00 -0.28 1.67 -0.26 -1.95 -2.29 115.58 119.16 3k0z h ASN 165 Ca 0.50 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.22 3k0z h ASN 165 Cb 0.75 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 3k0z h ASN 165 CO 1.67 0.50 0.12 0.25 -1.06 0.00 0.00 177.43 178.91 3k0z h LEU 166 N 0.00 0.37 -0.01 1.61 5.85 -1.99 0.47 115.31 121.60 3k0z h LEU 166 Ca -0.00 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.59 3k0z h LEU 166 Cb 0.88 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3k0z h LEU 166 CO 0.06 0.41 -0.08 0.74 -0.34 0.00 0.00 178.44 179.24 3k0z h THR 167 N 0.31 0.80 -0.31 1.05 2.02 -1.91 0.09 112.91 114.96 3k0z h THR 167 Ca 0.09 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.34 3k0z h THR 167 Cb 0.14 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 67.29 3k0z h THR 167 CO -0.01 0.00 -0.14 0.25 0.37 0.00 0.00 175.52 175.99 3k0z h LEU 168 N -0.13 -0.48 -1.61 2.58 5.85 -1.26 0.32 115.31 120.58 3k0z h LEU 168 Ca 0.04 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3k0z h LEU 168 Cb 0.17 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3k0z h LEU 168 CO -0.09 -0.18 0.11 0.11 -0.34 0.00 0.00 178.44 178.05 3k0z h LYS 169 N -0.09 0.36 -0.24 1.25 6.56 -0.52 0.13 116.57 124.02 3k0z h LYS 169 Ca 0.16 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.65 3k0z h LYS 169 Cb 0.34 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.91 3k0z h LYS 169 CO -0.37 0.30 -0.08 1.96 -2.06 0.00 0.00 179.45 179.21 3k0z h GLN 170 N 0.37 0.48 -0.07 3.15 4.20 -0.37 0.24 115.11 123.11 3k0z h GLN 170 Ca 0.09 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 3k0z h GLN 170 Cb 0.07 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3k0z h GLN 170 CO -0.01 0.72 -0.15 1.96 -0.67 0.00 0.00 178.83 180.68 3k0z h GLN 171 N 0.21 0.10 -0.00 1.46 4.20 0.05 -0.98 115.11 120.15 3k0z h GLN 171 Ca 0.06 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3k0z h GLN 171 Cb 0.55 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3k0z h GLN 171 CO 0.03 0.25 -0.02 1.28 -0.67 0.00 0.00 178.83 179.70 3k0z n LEU 172 N -4.32 0.23 -0.18 1.46 4.77 0.37 -4.91 117.00 114.44 3k0z n LEU 172 Ca -0.02 0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3k0z n LEU 172 Cb 0.24 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3k0z n LEU 172 CO 0.37 0.04 -0.02 0.61 -1.33 0.00 0.00 177.39 177.06 3k0z n GLY 173 N 1.14 0.55 0.13 -0.72 0.00 -0.37 -4.93 105.19 100.98 3k0z n GLY 173 Ca 0.19 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 3k0z n GLY 173 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k0z h LEU 174 N 0.00 0.49 -9.45 0.99 3.38 -0.74 -3.46 115.31 106.51 3k0z h LEU 174 Ca -0.05 -0.90 -0.66 0.00 0.09 0.00 0.00 57.88 56.37 3k0z h LEU 174 Cb 0.31 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 40.78 3k0z h LEU 174 CO 0.07 1.61 -0.65 -0.63 0.09 0.00 0.00 178.44 178.93 3k0z s ILE 175 N -2.50 4.11 -2.00 1.22 -1.09 -1.05 -5.00 121.20 114.90 3k0z s ILE 175 Ca -0.17 -0.83 0.22 0.00 -2.23 0.00 0.00 60.65 57.63 3k0z s ILE 175 Cb 0.04 -2.91 0.62 0.00 -1.58 0.00 0.00 42.46 38.62 3k0z s ILE 175 CO 0.81 0.21 1.67 0.00 -1.23 0.00 0.00 174.94 176.40