#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 4.67 -0.40 2.62 1.01 -1.26 -5.04 120.40 122.00 3k0z s VAL 29 Ca 0.00 1.60 -0.23 0.00 0.00 0.00 0.00 61.98 63.35 3k0z s VAL 29 Cb 0.00 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.30 3k0z s VAL 29 CO 0.00 0.41 0.77 -1.10 0.00 0.00 0.00 175.10 175.18 3k0z s GLN 30 N -0.34 3.61 0.54 2.72 -0.21 -1.26 -5.03 119.66 119.69 3k0z s GLN 30 Ca 0.37 0.13 -0.19 0.00 0.02 0.00 0.00 55.36 55.68 3k0z s GLN 30 Cb -0.21 -3.86 -0.06 0.00 1.00 0.00 0.00 33.01 29.88 3k0z s GLN 30 CO 0.23 -0.94 1.11 -0.51 -2.12 0.00 0.00 175.29 173.06 3k0z s LEU 31 N 3.13 3.74 0.05 2.90 1.43 -1.26 -4.98 118.68 123.70 3k0z s LEU 31 Ca 0.30 2.12 -0.31 0.00 -1.03 0.00 0.00 54.13 55.22 3k0z s LEU 31 Cb -0.13 -4.58 -0.07 0.00 0.03 0.00 0.00 46.19 41.45 3k0z s LEU 31 CO 0.19 -1.17 1.40 -0.76 0.23 0.00 0.00 176.35 176.24 3k0z s LEU 32 N -3.81 4.34 0.72 1.79 1.43 -1.26 -5.01 118.68 116.88 3k0z s LEU 32 Ca 0.71 2.21 -0.12 0.00 -1.03 0.00 0.00 54.13 55.90 3k0z s LEU 32 Cb -0.22 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.45 3k0z s LEU 32 CO 0.27 -0.69 1.09 -0.54 0.23 0.00 0.00 176.35 176.71 3k0z s LYS 33 N 1.81 2.58 -1.10 1.70 1.02 -1.26 -4.81 119.74 119.68 3k0z s LYS 33 Ca 0.64 1.21 -0.05 0.00 0.02 0.00 0.00 55.97 57.80 3k0z s LYS 33 Cb -0.34 -1.93 -0.05 0.00 -0.52 0.00 0.00 37.83 34.99 3k0z s LYS 33 CO 0.28 -1.40 0.93 0.39 -0.92 0.00 0.00 175.35 174.64 3k0z n GLU 34 N -3.03 -3.42 -3.01 1.68 -0.58 -1.26 -5.15 120.64 105.87 3k0z n GLU 34 Ca 0.09 0.85 -0.40 0.00 -0.42 0.00 0.00 57.16 57.28 3k0z n GLU 34 Cb 0.53 -5.80 -0.05 0.00 -0.57 0.00 0.00 31.44 25.56 3k0z n GLU 34 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3k0z s PRO 36 N -4.71 4.45 -0.20 3.49 0.02 -1.26 -5.07 135.00 131.73 3k0z s PRO 36 Ca 0.33 0.95 -0.14 0.00 0.02 0.00 0.00 61.00 62.16 3k0z s PRO 36 Cb -0.05 -3.44 -0.04 0.00 0.02 0.00 0.00 34.50 30.99 3k0z s PRO 36 CO 0.74 0.08 0.30 0.15 -0.33 0.00 0.00 177.00 177.94 3k0z s LYS 37 N 0.72 4.17 0.27 5.54 -0.14 -1.26 -4.81 119.74 124.23 3k0z s LYS 37 Ca 0.39 0.04 -0.31 0.00 -1.36 0.00 0.00 55.97 54.74 3k0z s LYS 37 Cb -0.18 -3.50 -0.12 0.00 -1.68 0.00 0.00 37.83 32.34 3k0z s LYS 37 CO 0.20 0.07 1.60 -2.30 -0.76 0.00 0.00 175.35 174.15 3k0z n PRO 38 N 4.15 2.62 0.15 -1.68 -0.02 -1.26 -4.55 135.00 134.40 3k0z n PRO 38 Ca -0.11 0.93 0.01 0.00 -2.02 0.00 0.00 63.50 62.31 3k0z n PRO 38 Cb 0.52 -2.71 0.23 0.00 -0.02 0.00 0.00 33.50 31.52 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 5.10 0.00 -4.63 -0.52 1.57 -0.97 -3.49 116.57 113.63 3k0z h LYS 39 Ca -0.46 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 57.93 3k0z h LYS 39 Cb 1.23 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.42 3k0z h LYS 39 CO 0.82 0.53 -0.40 0.00 -0.57 0.00 0.00 179.45 179.83 3k0z s ALA 40 N -3.67 1.46 -0.29 3.86 0.00 -0.96 -5.00 121.76 117.16 3k0z s ALA 40 Ca -0.01 -1.87 -0.14 0.00 0.00 0.00 0.00 51.96 49.94 3k0z s ALA 40 Cb 0.12 1.37 0.11 0.00 0.00 0.00 0.00 23.12 24.72 3k0z s ALA 40 CO 0.74 -0.70 0.74 0.99 0.00 0.00 0.00 175.76 177.53 3k0z s THR 42 N -3.37 -0.33 -0.06 0.00 2.01 0.11 -1.74 115.64 112.25 3k0z s THR 42 Ca 0.37 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.41 3k0z s THR 42 Cb 0.02 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.53 3k0z s THR 42 CO 0.24 0.00 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.35 3k0z s ILE 43 N 2.03 1.62 -0.18 1.82 1.01 -1.26 -0.96 121.20 125.28 3k0z s ILE 43 Ca -0.08 -0.79 -0.32 0.00 0.00 0.00 0.00 60.65 59.45 3k0z s ILE 43 Cb -0.07 -1.40 -0.09 0.00 0.01 0.00 0.00 42.46 40.90 3k0z s ILE 43 CO -0.19 0.46 2.06 -0.67 0.00 0.00 0.00 174.94 176.61 3k0z n ASP 44 N 3.35 3.16 0.00 3.58 -0.08 0.28 -4.86 116.55 121.99 3k0z n ASP 44 Ca -0.19 0.61 0.13 0.00 -1.51 0.00 0.00 54.79 53.83 3k0z n ASP 44 Cb 0.53 -1.42 0.76 0.00 2.34 0.00 0.00 41.12 43.33 3k0z n ASP 44 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3k0z n PRO 45 N 7.72 0.73 0.08 -0.67 -0.04 -1.26 -2.88 135.00 138.68 3k0z n PRO 45 Ca 0.29 0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 3k0z n PRO 45 Cb 0.34 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.61 3k0z n PRO 45 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3k0z n SER 46 N -1.07 0.74 -4.76 3.54 3.41 -1.26 -4.83 113.62 109.38 3k0z n SER 46 Ca 0.18 0.38 -0.40 0.00 -0.26 0.00 0.00 58.87 58.77 3k0z n SER 46 Cb 0.12 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 3k0z n SER 46 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3k0z s LEU 47 N -4.33 4.46 0.89 1.04 1.43 -1.14 -5.01 118.68 116.02 3k0z s LEU 47 Ca 0.09 2.43 -0.11 0.00 -1.03 0.00 0.00 54.13 55.51 3k0z s LEU 47 Cb 0.13 -3.69 0.13 0.00 0.03 0.00 0.00 46.19 42.79 3k0z s LEU 47 CO 0.64 -0.35 1.09 -0.94 0.23 0.00 0.00 176.35 177.02 3k0z s SER 48 N -0.77 3.46 0.24 2.29 1.04 -1.26 -4.73 113.70 113.97 3k0z s SER 48 Ca 0.48 1.65 -0.06 0.00 0.48 0.00 0.00 55.95 58.50 3k0z s SER 48 Cb -0.35 -2.30 0.31 0.00 0.10 0.00 0.00 66.02 63.78 3k0z s SER 48 CO 0.45 -2.67 1.86 -0.61 0.98 0.00 0.00 173.24 173.25 3k0z h GLN 49 N -1.57 1.00 -0.20 4.02 5.75 -1.97 -0.65 115.11 121.50 3k0z h GLN 49 Ca -0.48 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 57.96 3k0z h GLN 49 Cb 1.27 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.59 3k0z h GLN 49 CO 0.52 0.66 0.11 -0.22 -2.65 0.00 0.00 178.83 177.26 3k0z h LYS 50 N 1.03 0.27 -0.14 1.69 3.64 -1.99 -1.83 116.57 119.24 3k0z h LYS 50 Ca 0.37 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 3k0z h LYS 50 Cb 0.11 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3k0z h LYS 50 CO -0.15 0.24 0.06 0.93 -2.27 0.00 0.00 179.45 178.26 3k0z h GLU 51 N 0.23 0.21 -0.56 1.90 5.08 -1.84 -1.40 114.58 118.19 3k0z h GLU 51 Ca 0.07 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3k0z h GLU 51 Cb 0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3k0z h GLU 51 CO -0.01 0.28 0.13 0.00 -1.00 0.00 0.00 179.01 178.41 3k0z h ALA 52 N 0.92 0.74 -0.39 3.43 0.00 -1.14 -3.06 119.26 119.76 3k0z h ALA 52 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3k0z h ALA 52 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3k0z h ALA 52 CO -0.01 0.45 0.24 1.15 0.00 0.00 0.00 179.25 181.09 3k0z h THR 53 N 0.80 1.11 0.00 0.00 2.02 -1.20 -1.47 112.91 114.18 3k0z h THR 53 Ca 0.17 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3k0z h THR 53 Cb 0.35 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3k0z h THR 53 CO 0.00 0.11 0.00 -1.84 0.37 0.00 0.00 175.52 174.17 3k0z n GLU 54 N -4.80 0.38 0.00 6.66 0.28 -0.54 0.18 120.64 122.81 3k0z n GLU 54 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3k0z n GLU 54 Cb 0.04 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 31.60 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 0.88 0.00 -0.26 3.84 0.31 -0.55 -1.36 118.33 121.18 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 0.19 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.20 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 0.88 -0.57 3.52 -0.00 -0.52 -0.81 115.15 117.65 3k0z h HIS 57 Ca 0.00 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.44 3k0z h HIS 57 Cb 0.00 -0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 27.07 3k0z h HIS 57 CO 0.00 0.51 0.31 0.00 -0.00 0.00 0.00 177.93 178.75 3k0z h ALA 58 N 1.31 0.75 -0.53 2.45 0.00 -1.45 -1.40 119.26 120.38 3k0z h ALA 58 Ca 0.29 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 3k0z h ALA 58 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3k0z h ALA 58 CO -0.10 -0.03 -0.08 0.00 0.00 0.00 0.00 179.25 179.04 3k0z h ALA 59 N 1.30 0.86 -0.81 0.00 0.00 -1.75 -1.39 119.26 117.47 3k0z h ALA 59 Ca 0.25 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3k0z h ALA 59 Cb 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3k0z h ALA 59 CO -0.16 0.65 0.33 1.96 0.00 0.00 0.00 179.25 182.02 3k0z h GLN 60 N 0.87 1.20 -0.61 0.00 4.20 -0.61 -1.62 115.11 118.54 3k0z h GLN 60 Ca 0.14 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 3k0z h GLN 60 Cb 0.62 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3k0z h GLN 60 CO 0.04 0.97 -0.00 0.00 -0.67 0.00 0.00 178.83 179.16 3k0z h ARG 61 N 1.17 1.08 -0.36 1.46 3.08 -1.12 0.24 114.38 119.94 3k0z h ARG 61 Ca 0.27 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3k0z h ARG 61 Cb 0.21 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3k0z h ARG 61 CO -0.02 1.06 0.22 0.35 -1.07 0.00 0.00 179.97 180.50 3k0z h PHE 62 N 0.99 0.48 0.00 3.04 3.57 -0.73 0.04 116.94 124.33 3k0z h PHE 62 Ca 0.17 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 3k0z h PHE 62 Cb 0.57 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3k0z h PHE 62 CO 0.04 0.34 -0.45 1.88 -2.23 0.00 0.00 178.31 177.89 3k0z h TYR 63 N 0.47 0.00 -0.66 0.41 0.05 -1.20 -1.89 116.97 114.15 3k0z h TYR 63 Ca 0.13 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.86 3k0z h TYR 63 Cb 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 3k0z h TYR 63 CO -0.04 0.45 0.23 0.00 -1.05 0.00 0.00 178.16 177.75 3k0z h ALA 64 N 1.55 0.86 -0.20 3.88 0.00 -0.76 0.14 119.26 124.73 3k0z h ALA 64 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3k0z h ALA 64 Cb 1.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3k0z h ALA 64 CO 0.06 0.51 0.11 0.35 0.00 0.00 0.00 179.25 180.27 3k0z h PHE 65 N 0.94 0.27 0.00 0.00 3.57 -0.67 0.18 116.94 121.24 3k0z h PHE 65 Ca 0.22 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 3k0z h PHE 65 Cb 0.26 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3k0z h PHE 65 CO 0.02 0.25 -0.31 -1.49 -2.23 0.00 0.00 178.31 174.55 3k0z h TRP 66 N 0.21 0.00 0.02 0.41 4.06 -1.14 0.63 115.95 120.14 3k0z h TRP 66 Ca 0.07 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.82 3k0z h TRP 66 Cb 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 3k0z h TRP 66 CO -0.04 0.31 -0.92 0.22 -3.56 0.00 0.00 178.44 174.45 3k0z h ASP 67 N 0.00 0.19 0.00 -3.49 3.58 -0.36 -3.40 116.42 112.94 3k0z h ASP 67 Ca -0.00 -0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 3k0z h ASP 67 Cb 0.57 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 3k0z h ASP 67 CO 0.04 1.01 -1.32 0.35 -2.88 0.00 0.00 179.24 176.44 3k0z n THR 68 N -3.58 0.12 -1.20 2.25 -2.24 0.61 -4.68 114.28 105.55 3k0z n THR 68 Ca -0.03 -0.17 -0.07 0.00 -2.27 0.00 0.00 64.05 61.51 3k0z n THR 68 Cb 0.85 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 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 2.30 0.84 3.57 3.38 0.00 0.22 -4.95 105.19 110.56 3k0z n GLY 69 Ca -0.04 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.25 3.24 0.54 1.61 1.02 -1.26 -4.87 119.74 117.76 3k0z s LYS 70 Ca 0.00 0.47 0.28 0.00 0.02 0.00 0.00 55.97 56.74 3k0z s LYS 70 Cb 0.00 -4.15 1.52 0.00 -0.52 0.00 0.00 37.83 34.68 3k0z s LYS 70 CO 0.00 -2.02 2.11 0.93 -0.92 0.00 0.00 175.35 175.45 3k0z h GLU 71 N 11.43 0.00 0.00 1.68 5.08 -1.94 -1.75 114.58 129.08 3k0z h GLU 71 Ca -0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3k0z h GLU 71 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 3k0z h GLU 71 CO 1.18 0.09 -0.00 1.05 -1.00 0.00 0.00 179.01 180.34 3k0z h GLU 72 N 0.00 0.00 0.00 2.33 9.09 -2.03 -1.77 114.58 122.20 3k0z h GLU 72 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3k0z h GLU 72 Cb 0.26 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.36 3k0z h GLU 72 CO 0.01 0.00 -0.06 -0.07 0.05 0.00 0.00 179.01 178.94 3k0z h LEU 73 N 0.00 0.00 0.88 3.06 3.38 -1.72 -3.36 115.31 117.55 3k0z h LEU 73 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3k0z h LEU 73 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3k0z h LEU 73 CO 0.00 0.06 -0.43 0.40 0.09 0.00 0.00 178.44 178.57 3k0z h ILE 74 N 0.00 0.13 0.00 1.22 2.04 -1.52 -1.51 117.51 117.88 3k0z h ILE 74 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3k0z h ILE 74 Cb 0.48 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3k0z h ILE 74 CO 0.01 0.00 -0.02 1.55 0.00 0.00 0.00 178.15 179.69 3k0z h PRO 75 N -1.18 0.00 0.00 2.37 0.13 -1.78 -0.66 132.00 130.87 3k0z h PRO 75 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3k0z h PRO 75 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3k0z h PRO 75 CO 0.19 0.02 0.00 1.96 -0.23 0.00 0.00 178.00 179.94 3k0z h GLN 76 N 0.00 0.00 0.00 0.86 4.20 -1.50 -3.39 115.11 115.28 3k0z h GLN 76 Ca -0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 3k0z h GLN 76 Cb 0.16 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3k0z h GLN 76 CO 0.00 0.00 -1.46 2.41 -0.67 0.00 0.00 178.83 179.11 3k0z n THR 77 N -2.81 0.46 -4.42 -0.54 -1.04 -0.39 -4.91 114.28 100.63 3k0z n THR 77 Ca 0.03 -0.20 -0.24 0.00 -2.04 0.00 0.00 64.05 61.61 3k0z n THR 77 Cb 0.41 -0.80 -0.11 0.00 -1.82 0.00 0.00 70.33 68.02 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 -2.16 2.26 0.76 12.58 -7.23 -0.41 -0.76 120.40 125.44 3k0z s VAL 78 Ca -0.10 -2.21 -0.11 0.00 -1.81 0.00 0.00 61.98 57.75 3k0z s VAL 78 Cb 0.03 -2.15 0.05 0.00 0.56 0.00 0.00 36.38 34.86 3k0z s VAL 78 CO 0.20 -0.33 1.10 0.42 -0.31 0.00 0.00 175.10 176.19 3k0z s THR 79 N -2.25 3.20 0.52 5.32 -4.23 -0.58 -4.58 115.64 113.04 3k0z s THR 79 Ca 0.24 0.39 0.21 0.00 -1.18 0.00 0.00 61.69 61.35 3k0z s THR 79 Cb -0.05 -3.25 0.28 0.00 1.34 0.00 0.00 72.50 70.81 3k0z s THR 79 CO 0.11 -0.51 2.14 1.05 -0.54 0.00 0.00 174.62 176.88 3k0z h GLU 80 N -0.90 0.00 -0.78 3.99 9.09 -1.94 -2.13 114.58 121.91 3k0z h GLU 80 Ca -0.46 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 58.67 3k0z h GLU 80 Cb 1.26 0.00 -0.17 0.00 -1.65 0.00 0.00 28.75 28.20 3k0z h GLU 80 CO 0.62 0.05 0.34 0.09 0.05 0.00 0.00 179.01 180.16 3k0z n ASN 81 N -4.19 4.50 -4.57 3.06 4.13 -1.26 -4.73 115.26 112.20 3k0z n ASN 81 Ca -0.03 -3.33 -0.55 0.00 1.68 0.00 0.00 54.58 52.35 3k0z n ASN 81 Cb 0.13 -0.76 -0.07 0.00 -1.54 0.00 0.00 39.78 37.55 3k0z n ASN 81 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3k0z n PHE 82 N -0.42 1.27 -4.24 3.10 7.35 -0.80 -4.91 117.46 118.80 3k0z n PHE 82 Ca 0.45 0.78 -0.25 0.00 -0.76 0.00 0.00 57.45 57.67 3k0z n PHE 82 Cb 1.44 -2.26 -0.17 0.00 0.35 0.00 0.00 39.48 38.84 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 0.52 1.34 -0.39 -5.13 2.19 -0.76 -3.81 117.98 111.95 3k0z s PHE 83 Ca 0.88 -0.56 -0.19 0.00 0.33 0.00 0.00 56.93 57.39 3k0z s PHE 83 Cb -1.07 -1.07 0.01 0.00 -1.31 0.00 0.00 43.02 39.58 3k0z s PHE 83 CO 0.52 -0.36 0.55 0.34 1.83 0.00 0.00 175.22 178.10 3k0z s ASP 84 N 1.14 6.31 0.14 6.13 -1.08 -1.26 -1.87 116.67 126.17 3k0z s ASP 84 Ca -0.06 -0.22 0.23 0.00 -0.52 0.00 0.00 52.55 51.99 3k0z s ASP 84 Cb -0.14 -2.28 0.91 0.00 -1.46 0.00 0.00 42.92 39.94 3k0z s ASP 84 CO -0.02 -0.60 1.72 1.41 0.52 0.00 0.00 175.17 178.20 3k0z n HIS 85 N 5.92 0.50 -2.60 -5.34 8.25 -0.15 -3.78 115.22 118.03 3k0z n HIS 85 Ca -0.04 0.17 -0.20 0.00 -0.26 0.00 0.00 57.72 57.39 3k0z n HIS 85 Cb 0.48 -0.78 0.01 0.00 1.12 0.00 0.00 29.99 30.82 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 -1.94 1.83 -2.12 1.59 -2.24 -1.26 -5.02 114.28 105.12 3k0z n THR 86 Ca 0.04 -4.30 -0.43 0.00 -2.27 0.00 0.00 64.05 57.09 3k0z n THR 86 Cb 0.29 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 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 -3.35 3.90 0.51 3.22 2.96 -1.25 -4.75 118.68 119.93 3k0z s LEU 87 Ca 0.40 1.62 -0.22 0.00 -0.22 0.00 0.00 54.13 55.72 3k0z s LEU 87 Cb 0.41 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 43.50 3k0z s LEU 87 CO -0.10 -1.25 1.22 -2.65 -1.32 0.00 0.00 176.35 172.25 3k0z n PRO 88 N 7.64 1.56 -1.67 0.98 -0.02 -1.26 -4.88 135.00 137.35 3k0z n PRO 88 Ca 0.19 0.57 -0.46 0.00 -2.02 0.00 0.00 63.50 61.78 3k0z n PRO 88 Cb 0.45 -2.39 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 3k0z n PRO 88 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3k0z n LYS 89 N -0.61 2.17 -0.73 -0.52 0.00 -1.26 -1.48 118.16 115.73 3k0z n LYS 89 Ca 0.10 0.78 0.00 0.00 -0.00 0.00 0.00 58.31 59.19 3k0z n LYS 89 Cb 0.43 -2.55 0.00 0.00 -0.00 0.00 0.00 35.03 32.91 3k0z n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3k0z n GLY 90 N 3.36 1.49 3.74 2.58 0.00 -1.26 -5.03 105.19 110.06 3k0z n GLY 90 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.02 4.43 0.54 1.61 3.52 -0.55 -5.04 118.95 123.44 3k0z s ARG 91 Ca 0.00 0.90 -0.22 0.00 -0.13 0.00 0.00 55.73 56.28 3k0z s ARG 91 Cb 0.00 -3.40 -0.05 0.00 -1.56 0.00 0.00 34.95 29.94 3k0z s ARG 91 CO 0.00 0.20 1.28 -2.30 -0.81 0.00 0.00 175.30 173.67 3k0z n PRO 92 N 3.25 1.57 -2.31 5.12 -0.02 -1.26 -4.86 135.00 136.50 3k0z n PRO 92 Ca -0.03 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.70 3k0z n PRO 92 Cb 0.51 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 3k0z n PRO 92 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3k0z s GLN 93 N -2.79 3.58 0.98 -0.52 2.00 -1.26 -3.57 119.66 118.08 3k0z s GLN 93 Ca 0.71 1.29 0.00 0.00 -2.00 0.00 0.00 55.36 55.36 3k0z s GLN 93 Cb -0.43 -2.07 0.00 0.00 0.80 0.00 0.00 33.01 31.32 3k0z s GLN 93 CO 0.50 -0.61 0.00 0.41 -0.50 0.00 0.00 175.29 175.09 3k0z n GLY 94 N -0.60 -1.97 0.37 2.59 0.00 -1.25 -3.99 105.19 100.33 3k0z n GLY 94 Ca 0.09 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.73 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 0.87 0.00 2.61 1.35 -1.85 -0.84 112.91 115.05 3k0z h THR 95 Ca 0.00 -0.18 -0.05 0.00 -0.55 0.00 0.00 66.41 65.63 3k0z h THR 95 Cb 0.00 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 66.72 3k0z h THR 95 CO 0.00 0.09 -0.23 -0.33 -0.25 0.00 0.00 175.52 174.80 3k0z h GLU 96 N 0.52 0.00 -0.01 4.72 4.39 -1.90 -2.04 114.58 120.26 3k0z h GLU 96 Ca 0.35 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.97 3k0z h GLU 96 Cb 0.64 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 3k0z h GLU 96 CO -0.12 0.23 -0.36 0.78 -1.16 0.00 0.00 179.01 178.38 3k0z h GLY 97 N 0.81 0.02 1.04 -3.84 0.00 -1.20 -1.93 103.07 97.98 3k0z h GLY 97 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 3k0z h GLY 97 CO 0.03 0.01 -0.25 1.41 0.00 0.00 0.00 176.54 177.74 3k0z h LEU 98 N 0.01 0.89 0.13 3.11 3.38 -1.31 -0.46 115.31 121.05 3k0z h LEU 98 Ca -0.00 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 3k0z h LEU 98 Cb 0.65 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3k0z h LEU 98 CO 0.05 1.13 -0.09 0.11 0.09 0.00 0.00 178.44 179.72 3k0z h LYS 99 N 0.65 -0.22 -0.24 1.13 1.57 -1.43 -2.42 116.57 115.62 3k0z h LYS 99 Ca 0.08 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3k0z h LYS 99 Cb 0.82 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.14 3k0z h LYS 99 CO 0.07 -0.15 -0.06 0.35 -0.57 0.00 0.00 179.45 179.09 3k0z h PHE 100 N -0.23 -0.13 -0.50 -1.35 3.57 -1.32 -1.90 116.94 115.08 3k0z h PHE 100 Ca -0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3k0z h PHE 100 Cb 0.20 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3k0z h PHE 100 CO -0.10 -0.11 0.22 0.00 -2.23 0.00 0.00 178.31 176.09 3k0z h ALA 101 N 1.23 0.64 -0.47 2.41 0.00 -1.03 -0.86 119.26 121.18 3k0z h ALA 101 Ca 0.11 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3k0z h ALA 101 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3k0z h ALA 101 CO -0.25 0.23 -0.01 0.00 0.00 0.00 0.00 179.25 179.23 3k0z h ALA 102 N 1.06 0.64 -0.54 0.00 0.00 -1.32 0.29 119.26 119.39 3k0z h ALA 102 Ca 0.17 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3k0z h ALA 102 Cb 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3k0z h ALA 102 CO -0.02 0.45 0.06 1.96 0.00 0.00 0.00 179.25 181.70 3k0z h GLN 103 N 0.69 0.91 -0.52 0.00 4.20 -1.28 -1.99 115.11 117.12 3k0z h GLN 103 Ca 0.13 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 3k0z h GLN 103 Cb 0.51 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3k0z h GLN 103 CO 0.03 0.90 0.26 -0.91 -0.67 0.00 0.00 178.83 178.43 3k0z h ASN 104 N 0.79 0.68 -0.90 1.46 2.35 -0.90 -0.86 115.58 118.20 3k0z h ASN 104 Ca 0.16 -0.12 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3k0z h ASN 104 Cb 0.45 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 3k0z h ASN 104 CO 0.02 0.60 0.59 -0.26 -1.65 0.00 0.00 177.43 176.72 3k0z h PHE 105 N 0.70 1.05 0.00 1.19 0.04 -0.90 -2.33 116.94 116.69 3k0z h PHE 105 Ca 0.18 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.93 3k0z h PHE 105 Cb 0.10 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 37.89 3k0z h PHE 105 CO -0.01 0.57 -0.22 0.00 -0.60 0.00 0.00 178.31 178.05 3k0z h ARG 106 N 1.05 0.00 -0.23 1.51 3.08 -0.77 0.17 114.38 119.19 3k0z h ARG 106 Ca 0.38 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 3k0z h ARG 106 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3k0z h ARG 106 CO -0.14 0.22 0.09 0.87 -1.07 0.00 0.00 179.97 179.94 3k0z h LYS 107 N 0.00 0.35 0.07 0.04 1.57 -0.62 -2.44 116.57 115.54 3k0z h LYS 107 Ca -0.00 -0.07 -0.24 0.00 -1.87 0.00 0.00 60.65 58.47 3k0z h LYS 107 Cb 0.76 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 3k0z h LYS 107 CO 0.03 0.41 -1.12 -0.84 -0.57 0.00 0.00 179.45 177.36 3k0z h ILE 108 N 0.22 1.60 -2.47 1.86 3.07 -1.37 -3.41 117.51 117.01 3k0z h ILE 108 Ca 0.08 -3.23 -0.59 0.00 1.55 0.00 0.00 64.86 62.67 3k0z h ILE 108 Cb 0.20 2.89 -0.39 0.00 -0.27 0.00 0.00 36.82 39.25 3k0z h ILE 108 CO -0.01 0.93 -0.90 0.52 -1.05 0.00 0.00 178.15 177.65 3k0z n VAL 109 N -3.45 -0.54 -0.21 0.16 0.31 0.59 -4.28 118.33 110.92 3k0z n VAL 109 Ca -0.04 -3.80 0.25 0.00 -0.01 0.00 0.00 64.34 60.74 3k0z n VAL 109 Cb 0.98 -1.79 0.63 0.00 -0.91 0.00 0.00 33.84 32.75 3k0z n VAL 109 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3k0z h PRO 110 N 5.42 0.17 -0.64 5.55 0.11 -1.60 -1.33 132.00 139.68 3k0z h PRO 110 Ca 0.23 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 66.01 3k0z h PRO 110 Cb 0.87 -0.04 -0.19 0.00 0.11 0.00 0.00 31.00 31.75 3k0z h PRO 110 CO 0.46 0.11 0.25 0.27 -0.21 0.00 0.00 178.00 178.88 3k0z n ASN 111 N -4.38 3.20 -4.73 -2.05 6.94 -1.26 -4.94 115.26 108.04 3k0z n ASN 111 Ca 0.19 -3.65 -0.41 0.00 -0.02 0.00 0.00 54.58 50.69 3k0z n ASN 111 Cb 0.85 -0.72 0.01 0.00 -2.36 0.00 0.00 39.78 37.56 3k0z n ASN 111 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k0z n ILE 112 N -1.05 2.55 -4.47 1.53 3.06 -0.50 -4.64 119.36 115.84 3k0z n ILE 112 Ca 0.44 -0.50 -0.21 0.00 -2.50 0.00 0.00 62.75 59.98 3k0z n ILE 112 Cb 1.32 -1.72 -0.15 0.00 0.54 0.00 0.00 39.64 39.63 3k0z n ILE 112 CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 3k0z s HIS 113 N -1.18 1.06 -0.12 9.51 5.65 -0.24 -4.83 115.29 125.14 3k0z s HIS 113 Ca 0.60 -0.25 0.03 0.00 0.25 0.00 0.00 55.06 55.69 3k0z s HIS 113 Cb -0.49 -0.72 0.00 0.00 -1.18 0.00 0.00 32.58 30.19 3k0z s HIS 113 CO 0.59 -0.08 -0.23 0.00 -0.65 0.00 0.00 174.74 174.37 3k0z s GLU 115 N 0.54 1.71 -0.50 0.00 2.02 -0.30 -4.81 118.70 117.37 3k0z s GLU 115 Ca -0.14 -0.97 -0.21 0.00 0.02 0.00 0.00 54.97 53.67 3k0z s GLU 115 Cb -0.17 -1.79 0.04 0.00 0.10 0.00 0.00 34.13 32.31 3k0z s GLU 115 CO 0.04 0.47 0.74 0.42 0.02 0.00 0.00 175.26 176.96 3k0z s ILE 116 N -0.72 4.69 0.09 -1.63 1.01 -1.26 -0.66 121.20 122.73 3k0z s ILE 116 Ca 0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 3k0z s ILE 116 Cb -0.09 -4.35 -0.23 0.00 0.01 0.00 0.00 42.46 37.80 3k0z s ILE 116 CO 0.01 -0.83 1.21 -0.33 0.00 0.00 0.00 174.94 174.99 3k0z h GLU 117 N 9.06 0.57 -2.48 2.79 4.39 -0.96 0.50 114.58 128.44 3k0z h GLU 117 Ca -0.26 -0.66 -0.09 0.00 0.34 0.00 0.00 59.36 58.68 3k0z h GLU 117 Cb 1.09 0.20 -0.23 0.00 -0.10 0.00 0.00 28.75 29.71 3k0z h GLU 117 CO 0.98 1.26 -0.10 0.34 -1.16 0.00 0.00 179.01 180.34 3k0z s ASP 118 N -7.25 -0.53 -0.06 1.42 -1.08 -1.12 -2.26 116.67 105.78 3k0z s ASP 118 Ca -0.08 0.98 0.00 0.00 -0.52 0.00 0.00 52.55 52.93 3k0z s ASP 118 Cb 0.07 0.99 0.02 0.00 -1.46 0.00 0.00 42.92 42.55 3k0z s ASP 118 CO 0.91 -0.22 -0.04 -0.22 0.52 0.00 0.00 175.17 176.12 3k0z s LEU 119 N 0.10 1.07 -0.23 -1.34 2.96 -0.71 -1.01 118.68 119.52 3k0z s LEU 119 Ca -0.01 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3k0z s LEU 119 Cb -0.04 -0.51 0.06 0.00 0.50 0.00 0.00 46.19 46.20 3k0z s LEU 119 CO 0.01 -0.11 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.10 3k0z s LEU 120 N 1.36 2.67 -0.19 -0.68 1.43 -0.00 -0.71 118.68 122.55 3k0z s LEU 120 Ca -0.04 -1.15 -0.01 0.00 -1.03 0.00 0.00 54.13 51.90 3k0z s LEU 120 Cb -0.13 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.83 3k0z s LEU 120 CO -0.03 -0.21 -0.13 -0.69 0.23 0.00 0.00 176.35 175.53 3k0z s VAL 121 N 1.34 2.67 -0.18 -1.59 1.01 -0.13 -0.78 120.40 122.74 3k0z s VAL 121 Ca -0.05 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 3k0z s VAL 121 Cb -0.18 -2.16 0.06 0.00 0.00 0.00 0.00 36.38 34.09 3k0z s VAL 121 CO -0.06 0.49 0.46 0.54 0.00 0.00 0.00 175.10 176.52 3k0z s VAL 122 N 1.26 -0.02 0.00 2.92 0.11 -0.59 -0.55 120.40 123.53 3k0z s VAL 122 Ca 0.03 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 3k0z s VAL 122 Cb -0.14 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 3k0z s VAL 122 CO -0.07 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.34 3k0z n GLY 123 N 3.87 3.77 1.08 6.54 0.00 -1.26 -0.96 105.19 118.23 3k0z n GLY 123 Ca -0.20 0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.99 3k0z n GLY 123 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k0z n ASP 124 N 6.63 3.64 -4.38 1.61 5.68 -1.26 -5.00 116.55 123.47 3k0z n ASP 124 Ca 0.00 -3.23 -0.27 0.00 -0.50 0.00 0.00 54.79 50.79 3k0z n ASP 124 Cb 0.00 -0.59 -0.12 0.00 -1.14 0.00 0.00 41.12 39.27 3k0z n ASP 124 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3k0z s LYS 125 N -2.96 1.38 -0.04 0.11 -0.14 -0.14 -0.67 119.74 117.29 3k0z s LYS 125 Ca 0.44 -1.39 0.00 0.00 -1.36 0.00 0.00 55.97 53.67 3k0z s LYS 125 Cb 0.37 -1.73 0.02 0.00 -1.68 0.00 0.00 37.83 34.81 3k0z s LYS 125 CO 0.07 0.39 -0.02 0.08 -0.76 0.00 0.00 175.35 175.11 3k0z s VAL 126 N -1.40 0.41 -0.18 3.17 1.01 -0.01 -1.54 120.40 121.86 3k0z s VAL 126 Ca 0.15 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 3k0z s VAL 126 Cb -0.09 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 3k0z s VAL 126 CO 0.07 0.21 0.11 -0.89 0.00 0.00 0.00 175.10 174.60 3k0z s THR 127 N 1.12 5.20 -0.07 3.92 2.01 0.04 -0.06 115.64 127.82 3k0z s THR 127 Ca -0.08 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.08 3k0z s THR 127 Cb -0.14 -3.35 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 3k0z s THR 127 CO -0.01 0.47 -0.20 0.00 -0.69 0.00 0.00 174.62 174.18 3k0z s ALA 128 N 0.21 2.37 -0.21 7.40 0.00 -0.07 -0.82 121.76 130.64 3k0z s ALA 128 Ca 0.07 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 3k0z s ALA 128 Cb -0.12 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 3k0z s ALA 128 CO -0.01 0.43 -0.02 0.50 0.00 0.00 0.00 175.76 176.66 3k0z s ARG 129 N -0.25 3.51 0.15 0.00 3.52 -0.18 -1.33 118.95 124.36 3k0z s ARG 129 Ca -0.00 -0.57 0.09 0.00 -0.13 0.00 0.00 55.73 55.12 3k0z s ARG 129 Cb -0.13 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3k0z s ARG 129 CO 0.03 -0.07 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.80 3k0z s LEU 130 N 1.19 2.84 -0.11 -0.88 2.01 -0.01 -0.25 118.68 123.47 3k0z s LEU 130 Ca 0.03 -0.57 0.04 0.00 0.01 0.00 0.00 54.13 53.63 3k0z s LEU 130 Cb -0.14 -1.59 0.00 0.00 0.01 0.00 0.00 46.19 44.46 3k0z s LEU 130 CO 0.00 0.14 -0.23 -0.94 1.01 0.00 0.00 176.35 176.33 3k0z s SER 131 N -2.50 3.04 -0.14 2.29 1.04 0.17 -1.69 113.70 115.91 3k0z s SER 131 Ca 0.22 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 3k0z s SER 131 Cb -0.10 -1.39 -0.02 0.00 0.10 0.00 0.00 66.02 64.61 3k0z s SER 131 CO 0.13 0.14 -0.10 -0.36 0.98 0.00 0.00 173.24 174.02 3k0z s PHE 132 N 0.46 2.87 0.06 5.02 0.08 0.88 -1.15 117.98 126.20 3k0z s PHE 132 Ca -0.16 -0.60 0.01 0.00 0.12 0.00 0.00 56.93 56.30 3k0z s PHE 132 Cb -0.17 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 3k0z s PHE 132 CO 0.06 -0.20 -0.05 0.95 -0.10 0.00 0.00 175.22 175.88 3k0z s THR 133 N 0.44 0.43 -3.11 0.64 -4.23 -0.77 -1.11 115.64 107.93 3k0z s THR 133 Ca -0.08 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 3k0z s THR 133 Cb -0.15 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.62 3k0z s THR 133 CO 0.04 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 3k0z n GLY 134 N 0.73 -0.68 3.01 3.99 0.00 -0.75 -1.08 105.19 110.42 3k0z n GLY 134 Ca -0.18 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 3k0z n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k0z s THR 135 N -3.00 0.95 -0.48 2.61 2.01 -1.26 -0.19 115.64 116.28 3k0z s THR 135 Ca 0.00 -0.42 -0.05 0.00 0.31 0.00 0.00 61.69 61.54 3k0z s THR 135 Cb 0.00 -0.86 0.13 0.00 0.01 0.00 0.00 72.50 71.78 3k0z s THR 135 CO 0.00 0.30 0.31 -2.28 -0.69 0.00 0.00 174.62 172.26 3k0z s HIS 136 N 0.40 3.51 0.00 4.92 5.04 0.52 -4.16 115.29 125.52 3k0z s HIS 136 Ca -0.08 -2.32 0.00 0.00 -1.54 0.00 0.00 55.06 51.13 3k0z s HIS 136 Cb -0.12 -3.32 0.00 0.00 0.04 0.00 0.00 32.58 29.18 3k0z s HIS 136 CO 0.02 -0.95 0.00 0.09 -2.34 0.00 0.00 174.74 171.55 3k0z n ASN 137 N 4.44 0.00 -1.56 9.88 3.02 -1.26 -1.13 115.26 128.65 3k0z n ASN 137 Ca -0.01 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.61 3k0z n ASN 137 Cb 0.41 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 39.93 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 10.82 5.09 -4.13 6.41 5.75 -1.26 -4.93 116.55 134.31 3k0z n ASP 138 Ca 0.00 -2.91 -0.27 0.00 -0.01 0.00 0.00 54.79 51.60 3k0z n ASP 138 Cb 0.00 -0.63 -0.16 0.00 -1.03 0.00 0.00 41.12 39.30 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 -2.70 2.02 0.24 0.11 1.02 -0.28 -5.12 119.74 115.03 3k0z s LYS 139 Ca 0.50 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 55.57 3k0z s LYS 139 Cb 0.38 -1.68 -0.09 0.00 -0.52 0.00 0.00 37.83 35.93 3k0z s LYS 139 CO 0.15 0.19 0.99 0.15 -0.92 0.00 0.00 175.35 175.91 3k0z s LYS 140 N 0.22 4.78 -0.09 1.68 -0.14 -1.26 -0.36 119.74 124.57 3k0z s LYS 140 Ca -0.09 1.58 0.01 0.00 -1.36 0.00 0.00 55.97 56.11 3k0z s LYS 140 Cb -0.14 -3.26 -0.03 0.00 -1.68 0.00 0.00 37.83 32.73 3k0z s LYS 140 CO 0.04 0.41 -0.09 0.42 -0.76 0.00 0.00 175.35 175.36 3k0z s ILE 141 N -1.08 3.44 -0.29 2.17 -1.09 0.74 -4.87 121.20 120.21 3k0z s ILE 141 Ca 0.43 -0.56 0.05 0.00 -2.23 0.00 0.00 60.65 58.34 3k0z s ILE 141 Cb -0.28 -2.42 0.20 0.00 -1.58 0.00 0.00 42.46 38.38 3k0z s ILE 141 CO 0.34 0.57 0.59 -0.62 -1.23 0.00 0.00 174.94 174.59 3k0z s ASP 142 N -0.37 -1.55 0.09 3.58 -1.08 -1.26 -1.82 116.67 114.27 3k0z s ASP 142 Ca 0.05 0.28 -0.08 0.00 -0.52 0.00 0.00 52.55 52.28 3k0z s ASP 142 Cb -0.12 2.03 -0.00 0.00 -1.46 0.00 0.00 42.92 43.37 3k0z s ASP 142 CO 0.02 -0.30 0.18 0.72 0.52 0.00 0.00 175.17 176.32 3k0z s PHE 143 N 2.83 0.17 0.41 -5.34 -0.71 -0.27 -4.90 117.98 110.17 3k0z s PHE 143 Ca 0.12 -0.60 0.07 0.00 -1.04 0.00 0.00 56.93 55.48 3k0z s PHE 143 Cb -0.11 -0.07 -0.06 0.00 -1.21 0.00 0.00 43.02 41.57 3k0z s PHE 143 CO -0.25 -0.53 0.15 -0.59 -1.34 0.00 0.00 175.22 172.66 3k0z s PHE 144 N -3.83 2.59 0.11 3.49 -0.71 -1.26 -0.08 117.98 118.28 3k0z s PHE 144 Ca 0.05 -0.60 -0.13 0.00 -1.04 0.00 0.00 56.93 55.20 3k0z s PHE 144 Cb 0.05 -1.93 0.02 0.00 -1.21 0.00 0.00 43.02 39.95 3k0z s PHE 144 CO -0.11 0.22 0.31 0.00 -1.34 0.00 0.00 175.22 174.31 3k0z s ALA 145 N -2.62 -0.64 -0.03 1.99 0.00 -0.68 -1.76 121.76 118.02 3k0z s ALA 145 Ca 0.40 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.09 3k0z s ALA 145 Cb 0.05 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.79 3k0z s ALA 145 CO 0.22 -0.58 -0.03 0.42 0.00 0.00 0.00 175.76 175.79 3k0z s ILE 146 N -3.79 0.35 0.09 0.00 1.01 -0.29 -0.83 121.20 117.74 3k0z s ILE 146 Ca 0.03 -0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.72 3k0z s ILE 146 Cb 0.03 -0.40 -0.03 0.00 0.01 0.00 0.00 42.46 42.07 3k0z s ILE 146 CO -0.11 0.17 -0.18 -1.81 0.00 0.00 0.00 174.94 173.00 3k0z s ASP 147 N 0.82 2.22 -0.16 3.58 1.11 -0.45 -1.09 116.67 122.71 3k0z s ASP 147 Ca -0.10 -0.65 0.02 0.00 0.18 0.00 0.00 52.55 52.00 3k0z s ASP 147 Cb -0.13 -0.11 0.01 0.00 1.07 0.00 0.00 42.92 43.77 3k0z s ASP 147 CO -0.01 0.02 -0.21 -0.63 1.18 0.00 0.00 175.17 175.52 3k0z s ILE 148 N -1.17 2.07 -0.09 0.77 1.01 0.14 -0.89 121.20 123.04 3k0z s ILE 148 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3k0z s ILE 148 Cb -0.10 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 3k0z s ILE 148 CO 0.03 0.55 -0.09 -0.76 0.00 0.00 0.00 174.94 174.67 3k0z s LEU 149 N 1.02 3.01 -0.25 2.97 1.43 0.92 -1.41 118.68 126.37 3k0z s LEU 149 Ca -0.02 -0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 3k0z s LEU 149 Cb -0.14 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3k0z s LEU 149 CO -0.07 0.28 0.16 -2.28 0.23 0.00 0.00 176.35 174.67 3k0z s HIS 150 N -0.32 3.25 -0.15 0.29 2.46 -0.08 -0.83 115.29 119.90 3k0z s HIS 150 Ca 0.04 0.10 0.02 0.00 0.47 0.00 0.00 55.06 55.69 3k0z s HIS 150 Cb -0.13 -2.30 0.01 0.00 -0.13 0.00 0.00 32.58 30.03 3k0z s HIS 150 CO 0.02 -0.07 -0.20 0.08 -2.47 0.00 0.00 174.74 172.10 3k0z s VAL 151 N 1.36 2.18 -0.11 0.89 1.01 0.16 -0.98 120.40 124.92 3k0z s VAL 151 Ca 0.07 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3k0z s VAL 151 Cb -0.15 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.35 3k0z s VAL 151 CO 0.07 0.54 -0.16 -0.75 0.00 0.00 0.00 175.10 174.79 3k0z s LYS 152 N 0.93 2.32 -1.52 2.72 2.20 0.09 -4.75 119.74 121.73 3k0z s LYS 152 Ca -0.04 -0.60 -0.11 0.00 -0.36 0.00 0.00 55.97 54.86 3k0z s LYS 152 Cb -0.15 -1.93 0.07 0.00 -1.51 0.00 0.00 37.83 34.32 3k0z s LYS 152 CO -0.04 -0.03 0.81 -0.25 -0.36 0.00 0.00 175.35 175.48 3k0z n ASP 153 N 4.09 -3.18 -0.00 1.43 8.00 -1.26 -1.93 116.55 123.69 3k0z n ASP 153 Ca -0.19 -0.87 -0.00 0.00 0.71 0.00 0.00 54.79 54.43 3k0z n ASP 153 Cb 0.51 -3.54 -0.00 0.00 -0.02 0.00 0.00 41.12 38.08 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 -1.65 0.45 3.17 0.44 0.00 -1.26 -5.02 105.19 101.31 3k0z n GLY 154 Ca -0.06 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.25 0.90 -0.22 1.61 1.02 -0.81 -4.57 119.74 117.42 3k0z s LYS 155 Ca 0.00 -0.89 -0.29 0.00 0.02 0.00 0.00 55.97 54.81 3k0z s LYS 155 Cb 0.00 -0.94 0.00 0.00 -0.52 0.00 0.00 37.83 36.38 3k0z s LYS 155 CO 0.00 0.22 1.12 0.42 -0.92 0.00 0.00 175.35 176.19 3k0z s ILE 156 N -1.09 4.52 -0.08 2.17 1.01 0.06 -0.73 121.20 127.06 3k0z s ILE 156 Ca 0.00 1.82 0.14 0.00 0.00 0.00 0.00 60.65 62.61 3k0z s ILE 156 Cb -0.09 -4.22 -0.23 0.00 0.01 0.00 0.00 42.46 37.92 3k0z s ILE 156 CO 0.02 -0.21 0.53 0.35 0.00 0.00 0.00 174.94 175.63 3k0z n THR 157 N 5.44 1.56 -3.44 2.92 -2.24 -0.15 -1.52 114.28 116.84 3k0z n THR 157 Ca 0.13 -0.81 -0.12 0.00 -2.27 0.00 0.00 64.05 60.98 3k0z n THR 157 Cb 0.46 -0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.57 1.19 0.09 -0.78 -1.05 -1.24 -1.83 118.70 112.50 3k0z s GLU 158 Ca -0.06 -0.36 -0.10 0.00 -0.15 0.00 0.00 54.97 54.30 3k0z s GLU 158 Cb 0.08 0.55 0.01 0.00 -0.44 0.00 0.00 34.13 34.32 3k0z s GLU 158 CO 0.83 -0.50 0.23 0.16 0.95 0.00 0.00 175.26 176.93 3k0z s ASP 159 N -2.52 0.04 -0.09 0.83 -4.77 -0.78 -0.91 116.67 108.47 3k0z s ASP 159 Ca 0.00 -0.54 0.02 0.00 -3.30 0.00 0.00 52.55 48.73 3k0z s ASP 159 Cb -0.01 0.36 0.01 0.00 -1.09 0.00 0.00 42.92 42.19 3k0z s ASP 159 CO -0.10 -0.73 -0.14 0.26 0.70 0.00 0.00 175.17 175.16 3k0z s TRP 160 N -3.67 1.74 0.06 2.11 0.51 -0.50 -0.97 118.94 118.23 3k0z s TRP 160 Ca 0.03 -0.73 -0.08 0.00 -2.12 0.00 0.00 56.10 53.20 3k0z s TRP 160 Cb 0.04 -1.26 -0.00 0.00 -0.81 0.00 0.00 33.47 31.43 3k0z s TRP 160 CO -0.10 -0.37 0.17 -3.38 -0.51 0.00 0.00 176.95 172.75 3k0z s HIS 161 N 0.81 0.13 -0.14 -1.98 -3.43 -1.26 -0.68 115.29 108.73 3k0z s HIS 161 Ca -0.11 -0.45 -0.07 0.00 -0.80 0.00 0.00 55.06 53.63 3k0z s HIS 161 Cb -0.16 -0.07 0.06 0.00 -1.43 0.00 0.00 32.58 30.98 3k0z s HIS 161 CO 0.02 -0.46 0.34 -1.17 -2.00 0.00 0.00 174.74 171.47 3k0z s LEU 162 N -2.39 0.07 0.14 5.38 2.96 -0.25 -4.86 118.68 119.73 3k0z s LEU 162 Ca -0.01 0.73 0.04 0.00 -0.22 0.00 0.00 54.13 54.67 3k0z s LEU 162 Cb 0.01 1.06 -0.04 0.00 0.50 0.00 0.00 46.19 47.73 3k0z s LEU 162 CO -0.07 -0.19 0.14 -1.61 -1.32 0.00 0.00 176.35 173.31 3k0z s GLU 163 N 1.46 2.97 -1.34 1.98 8.01 -1.26 -1.14 118.70 129.38 3k0z s GLU 163 Ca -0.08 -0.79 -0.16 0.00 0.01 0.00 0.00 54.97 53.94 3k0z s GLU 163 Cb -0.10 -2.71 0.07 0.00 -4.31 0.00 0.00 34.13 27.09 3k0z s GLU 163 CO -0.11 0.51 1.87 -3.47 0.01 0.00 0.00 175.26 174.07 3k0z n ASP 164 N -0.19 4.65 0.20 -0.19 -0.08 -0.72 -4.75 116.55 115.47 3k0z n ASP 164 Ca -0.08 -2.91 0.05 0.00 -1.51 0.00 0.00 54.79 50.34 3k0z n ASP 164 Cb 0.54 -1.70 0.40 0.00 2.34 0.00 0.00 41.12 42.69 3k0z n ASP 164 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3k0z h ASN 165 N 7.02 0.00 -0.12 1.67 -0.26 -1.95 -1.07 115.58 120.86 3k0z h ASN 165 Ca 0.47 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 56.12 3k0z h ASN 165 Cb 0.79 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 3k0z h ASN 165 CO 1.58 0.35 -0.30 0.25 -1.06 0.00 0.00 177.43 178.25 3k0z h LEU 166 N 0.00 0.47 -0.15 1.61 5.85 -1.99 -0.32 115.31 120.78 3k0z h LEU 166 Ca -0.00 -0.58 0.01 0.00 0.84 0.00 0.00 57.88 58.15 3k0z h LEU 166 Cb 0.73 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3k0z h LEU 166 CO 0.05 0.97 0.06 0.74 -0.34 0.00 0.00 178.44 179.91 3k0z h THR 167 N -0.01 0.98 -0.28 1.05 2.02 -1.87 -1.67 112.91 113.14 3k0z h THR 167 Ca -0.00 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.17 3k0z h THR 167 Cb 0.91 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 3k0z h THR 167 CO 0.06 0.02 0.05 0.25 0.37 0.00 0.00 175.52 176.28 3k0z h LEU 168 N 0.13 0.01 -0.93 2.58 5.85 -1.18 -1.00 115.31 120.77 3k0z h LEU 168 Ca 0.06 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3k0z h LEU 168 Cb 0.03 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3k0z h LEU 168 CO -0.06 0.04 0.56 0.11 -0.34 0.00 0.00 178.44 178.76 3k0z h LYS 169 N 0.15 1.26 -0.43 1.25 1.57 -0.91 -0.01 116.57 119.46 3k0z h LYS 169 Ca 0.13 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3k0z h LYS 169 Cb 0.14 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3k0z h LYS 169 CO -0.17 0.87 0.25 1.96 -0.57 0.00 0.00 179.45 181.79 3k0z h GLN 170 N 1.28 0.59 -0.40 3.15 4.20 -1.04 -1.19 115.11 121.70 3k0z h GLN 170 Ca 0.33 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.93 3k0z h GLN 170 Cb -0.06 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3k0z h GLN 170 CO -0.06 0.46 0.03 1.96 -0.67 0.00 0.00 178.83 180.55 3k0z h GLN 171 N 0.57 0.62 0.00 1.46 4.20 -0.38 -1.58 115.11 120.00 3k0z h GLN 171 Ca 0.15 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3k0z h GLN 171 Cb 0.03 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3k0z h GLN 171 CO -0.03 0.62 0.00 1.28 -0.67 0.00 0.00 178.83 180.03 3k0z n LEU 172 N -4.28 0.15 0.00 1.46 4.77 -0.09 -4.82 117.00 114.19 3k0z n LEU 172 Ca 0.02 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3k0z n LEU 172 Cb 0.24 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3k0z n LEU 172 CO 0.39 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 3k0z n GLY 173 N 0.50 0.64 0.10 -0.72 0.00 -0.59 -4.96 105.19 100.16 3k0z n GLY 173 Ca 0.04 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -7.85 0.99 3.38 -1.42 -3.48 115.31 106.93 3k0z h LEU 174 Ca 0.00 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3k0z h LEU 174 Cb 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.58 3k0z h LEU 174 CO 0.00 0.04 -0.47 -0.63 0.09 0.00 0.00 178.44 177.47 3k0z s ILE 175 N -3.30 0.13 0.00 1.22 1.01 -1.19 -4.98 121.20 114.09 3k0z s ILE 175 Ca 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.60 3k0z s ILE 175 Cb 0.11 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.60 3k0z s ILE 175 CO 0.77 -0.59 0.00 0.00 0.00 0.00 0.00 174.94 175.12