#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8u s TYR 6 N 0.00 3.21 -0.09 4.41 1.51 -1.26 -5.06 117.35 120.07 3k8u s TYR 6 Ca 0.00 -0.50 -0.25 0.00 -1.01 0.00 0.00 57.07 55.31 3k8u s TYR 6 Cb 0.00 -2.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.10 3k8u s TYR 6 CO 0.00 -0.64 0.80 0.15 -1.11 0.00 0.00 175.55 174.75 3k8u s LYS 7 N 1.88 4.41 -0.04 -0.62 1.02 -1.26 -5.00 119.74 120.13 3k8u s LYS 7 Ca 0.08 1.04 -0.00 0.00 0.02 0.00 0.00 55.97 57.11 3k8u s LYS 7 Cb -0.18 -3.50 0.03 0.00 -0.52 0.00 0.00 37.83 33.66 3k8u s LYS 7 CO 0.12 -0.10 0.01 -1.17 -0.92 0.00 0.00 175.35 173.29 3k8u s LEU 8 N 1.32 0.95 -0.42 3.17 2.96 -1.26 -4.77 118.68 120.64 3k8u s LEU 8 Ca 0.41 -0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 54.14 3k8u s LEU 8 Cb -0.18 -0.22 0.02 0.00 0.50 0.00 0.00 46.19 46.31 3k8u s LEU 8 CO 0.18 -0.13 0.38 -0.69 -1.32 0.00 0.00 176.35 174.76 3k8u s VAL 9 N 1.29 5.16 0.63 1.68 1.01 -1.26 -5.01 120.40 123.90 3k8u s VAL 9 Ca -0.06 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 3k8u s VAL 9 Cb -0.13 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 3k8u s VAL 9 CO -0.02 -0.38 1.05 -2.16 0.00 0.00 0.00 175.10 173.59 3k8u s PRO 10 N 1.93 3.26 0.46 2.72 0.04 -1.26 -4.55 135.00 137.60 3k8u s PRO 10 Ca 0.09 1.04 -0.02 0.00 0.04 0.00 0.00 61.00 62.15 3k8u s PRO 10 Cb -0.18 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 3k8u s PRO 10 CO 0.12 -0.84 0.71 1.14 0.04 0.00 0.00 177.00 178.16 3k8u s GLN 11 N -4.55 3.23 0.10 4.56 -2.07 -0.07 -4.93 119.66 115.92 3k8u s GLN 11 Ca 0.60 -0.24 0.00 0.00 -1.82 0.00 0.00 55.36 53.90 3k8u s GLN 11 Cb -0.14 -2.50 0.00 0.00 -1.09 0.00 0.00 33.01 29.28 3k8u s GLN 11 CO 0.45 -0.24 0.00 -0.89 -1.32 0.00 0.00 175.29 173.29 3k8u n ILE 12 N -2.14 0.68 -2.37 3.63 5.41 -1.26 -4.32 119.36 118.99 3k8u n ILE 12 Ca 0.00 0.23 -0.40 0.00 1.00 0.00 0.00 62.75 63.58 3k8u n ILE 12 Cb 0.57 -1.35 -0.04 0.00 -0.71 0.00 0.00 39.64 38.11 3k8u n ILE 12 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3k8u s ASP 13 N -5.55 7.13 0.60 4.38 1.01 -1.26 -4.93 116.67 118.05 3k8u s ASP 13 Ca 0.00 2.39 0.34 0.00 0.71 0.00 0.00 52.55 55.99 3k8u s ASP 13 Cb 0.00 -2.63 1.92 0.00 1.01 0.00 0.00 42.92 43.22 3k8u s ASP 13 CO 0.00 -0.25 2.24 0.71 0.21 0.00 0.00 175.17 178.08 3k8u h THR 14 N 3.07 0.33 -0.01 -1.27 1.35 -1.98 -2.24 112.91 112.17 3k8u h THR 14 Ca -0.47 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3k8u h THR 14 Cb 1.22 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3k8u h THR 14 CO 0.66 0.03 -0.15 -2.11 -0.25 0.00 0.00 175.52 173.70 3k8u n ARG 15 N -3.51 0.80 -0.56 4.72 1.85 -1.26 -4.38 116.66 114.32 3k8u n ARG 15 Ca -0.03 -0.36 0.02 0.00 -1.00 0.00 0.00 57.85 56.49 3k8u n ARG 15 Cb 0.12 -1.49 0.23 0.00 -1.05 0.00 0.00 32.46 30.27 3k8u n ARG 15 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3k8u n ASP 16 N -0.79 3.83 -0.23 2.89 8.00 -0.84 -4.30 116.55 125.11 3k8u n ASP 16 Ca 0.14 -2.60 -0.05 0.00 0.71 0.00 0.00 54.79 52.99 3k8u n ASP 16 Cb 0.30 -0.62 0.10 0.00 -0.02 0.00 0.00 41.12 40.88 3k8u n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k8u h GLY 18 N 1.08 -0.65 0.72 0.00 0.00 -1.83 -1.58 103.07 100.80 3k8u h GLY 18 Ca 0.23 0.24 0.09 0.00 0.00 0.00 0.00 47.33 47.89 3k8u h GLY 18 CO -0.01 -0.24 0.58 -2.55 0.00 0.00 0.00 176.54 174.33 3k8u h PRO 19 N -0.75 0.89 -0.07 4.80 0.11 -1.86 -2.33 132.00 132.79 3k8u h PRO 19 Ca -0.06 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 3k8u h PRO 19 Cb 0.54 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 3k8u h PRO 19 CO 0.10 0.59 0.03 0.00 -0.21 0.00 0.00 178.00 178.51 3k8u h ALA 20 N 1.54 0.10 -0.42 -0.75 0.00 -1.03 -0.48 119.26 118.23 3k8u h ALA 20 Ca 0.42 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 3k8u h ALA 20 Cb 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3k8u h ALA 20 CO -0.18 -0.31 -0.04 -0.39 0.00 0.00 0.00 179.25 178.32 3k8u h VAL 21 N -0.05 1.24 -0.41 0.00 -1.51 -1.10 -0.86 116.25 113.56 3k8u h VAL 21 Ca 0.02 -1.01 -0.06 0.00 -1.23 0.00 0.00 66.70 64.42 3k8u h VAL 21 Cb 0.18 0.97 -0.02 0.00 -2.13 0.00 0.00 31.29 30.29 3k8u h VAL 21 CO -0.00 0.35 0.02 0.25 -1.23 0.00 0.00 177.57 176.96 3k8u h LEU 22 N 0.65 0.68 -1.08 4.19 5.85 -1.31 -1.81 115.31 122.48 3k8u h LEU 22 Ca 0.12 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 3k8u h LEU 22 Cb 0.47 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3k8u h LEU 22 CO 0.02 0.80 0.30 0.00 -0.34 0.00 0.00 178.44 179.23 3k8u h ALA 23 N 0.90 1.28 0.05 1.25 0.00 -0.83 -0.99 119.26 120.93 3k8u h ALA 23 Ca 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k8u h ALA 23 Cb 0.44 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3k8u h ALA 23 CO 0.02 0.55 -0.03 0.77 0.00 0.00 0.00 179.25 180.56 3k8u h SER 24 N 0.94 -0.06 -0.42 0.00 0.02 -0.79 -0.66 113.55 112.59 3k8u h SER 24 Ca 0.23 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3k8u h SER 24 Cb 0.12 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3k8u h SER 24 CO -0.03 0.05 0.12 0.58 -1.14 0.00 0.00 176.83 176.41 3k8u h VAL 25 N -0.17 1.22 -0.93 2.27 2.07 -1.16 -2.50 116.25 117.05 3k8u h VAL 25 Ca -0.01 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 66.81 3k8u h VAL 25 Cb 0.14 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 3k8u h VAL 25 CO 0.01 0.26 0.61 0.00 0.02 0.00 0.00 177.57 178.48 3k8u h ALA 26 N 0.97 1.44 -0.21 1.67 0.00 -1.08 -1.06 119.26 121.00 3k8u h ALA 26 Ca 0.13 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3k8u h ALA 26 Cb 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3k8u h ALA 26 CO -0.00 0.44 -0.12 -0.22 0.00 0.00 0.00 179.25 179.35 3k8u h LYS 27 N 1.12 0.33 -0.63 0.00 3.64 -0.37 -1.14 116.57 119.52 3k8u h LYS 27 Ca 0.39 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 3k8u h LYS 27 Cb 0.10 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3k8u h LYS 27 CO -0.13 0.46 0.25 1.25 -2.27 0.00 0.00 179.45 179.01 3k8u h HIS 28 N 0.31 0.92 -0.26 1.91 2.76 -0.77 -2.10 115.15 117.92 3k8u h HIS 28 Ca 0.06 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3k8u h HIS 28 Cb 0.40 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.08 3k8u h HIS 28 CO 0.01 0.71 0.00 0.66 -1.30 0.00 0.00 177.93 178.00 3k8u n TYR 29 N -4.32 0.88 -0.42 5.26 4.01 -0.77 -4.90 117.16 116.91 3k8u n TYR 29 Ca 0.05 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 3k8u n TYR 29 Cb 0.17 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 3k8u n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k8u n GLY 30 N 0.34 1.42 3.77 2.72 0.00 -0.79 -5.04 105.19 107.61 3k8u n GLY 30 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3k8u n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k8u s SER 31 N -3.19 6.18 -0.27 1.61 0.01 -0.50 -4.96 113.70 112.58 3k8u s SER 31 Ca 0.00 0.30 -0.02 0.00 1.31 0.00 0.00 55.95 57.53 3k8u s SER 31 Cb 0.00 -2.05 0.03 0.00 0.21 0.00 0.00 66.02 64.21 3k8u s SER 31 CO 0.00 0.27 -0.03 0.20 0.41 0.00 0.00 173.24 174.09 3k8u s ASN 32 N -0.18 4.56 -0.03 2.44 -0.87 -1.26 -1.87 114.94 117.73 3k8u s ASN 32 Ca 0.10 -0.93 0.06 0.00 -1.57 0.00 0.00 52.86 50.51 3k8u s ASN 32 Cb -0.11 -1.71 -0.01 0.00 -0.02 0.00 0.00 41.25 39.40 3k8u s ASN 32 CO 0.01 -0.17 -0.20 -0.31 -2.57 0.00 0.00 177.10 173.85 3k8u s TYR 33 N 1.34 1.94 0.62 2.20 2.02 -1.26 -5.09 117.35 119.11 3k8u s TYR 33 Ca -0.01 -0.48 -0.15 0.00 -0.37 0.00 0.00 57.07 56.06 3k8u s TYR 33 Cb -0.17 -1.27 -0.02 0.00 -0.40 0.00 0.00 41.96 40.10 3k8u s TYR 33 CO -0.03 -0.12 1.08 -1.54 -1.57 0.00 0.00 175.55 173.38 3k8u s SER 34 N -0.24 5.50 0.19 2.29 1.04 -1.26 -4.83 113.70 116.39 3k8u s SER 34 Ca 0.02 1.88 -0.10 0.00 0.48 0.00 0.00 55.95 58.22 3k8u s SER 34 Cb -0.10 -2.54 0.11 0.00 0.10 0.00 0.00 66.02 63.59 3k8u s SER 34 CO 0.01 -1.36 1.75 0.40 0.98 0.00 0.00 173.24 175.03 3k8u h ILE 35 N 0.23 1.24 -0.97 -1.02 2.04 -1.98 -1.88 117.51 115.17 3k8u h ILE 35 Ca -0.47 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 64.66 3k8u h ILE 35 Cb 1.23 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 3k8u h ILE 35 CO 0.56 0.30 0.64 0.00 0.00 0.00 0.00 178.15 179.65 3k8u h ALA 36 N 1.13 1.33 -0.12 1.87 0.00 -1.98 0.21 119.26 121.70 3k8u h ALA 36 Ca 0.23 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3k8u h ALA 36 Cb 0.20 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3k8u h ALA 36 CO -0.02 0.61 -0.08 -0.92 0.00 0.00 0.00 179.25 178.84 3k8u h TYR 37 N 1.29 0.31 0.00 0.00 3.20 -1.88 -2.97 116.97 116.92 3k8u h TYR 37 Ca 0.36 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 62.07 3k8u h TYR 37 Cb -0.11 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3k8u h TYR 37 CO -0.00 0.64 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.68 3k8u h LEU 38 N -0.11 0.00 -0.67 2.82 3.38 -1.02 -1.82 115.31 117.88 3k8u h LEU 38 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3k8u h LEU 38 Cb 0.57 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3k8u h LEU 38 CO 0.02 0.41 0.34 -0.09 0.09 0.00 0.00 178.44 179.20 3k8u h ARG 39 N 0.00 0.96 -0.20 1.13 2.43 -0.56 -0.06 114.38 118.07 3k8u h ARG 39 Ca -0.00 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 58.94 3k8u h ARG 39 Cb 0.77 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3k8u h ARG 39 CO 0.05 0.75 -0.25 1.49 -1.51 0.00 0.00 179.97 180.50 3k8u h GLU 40 N 0.93 0.53 -0.11 0.20 4.57 -1.32 -1.55 114.58 117.83 3k8u h GLU 40 Ca 0.23 -0.30 -0.05 0.00 -1.18 0.00 0.00 59.36 58.06 3k8u h GLU 40 Cb 0.09 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3k8u h GLU 40 CO -0.03 0.89 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.44 3k8u h LEU 41 N 0.20 0.17 -1.38 1.64 4.07 -1.10 -2.67 115.31 116.24 3k8u h LEU 41 Ca 0.03 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3k8u h LEU 41 Cb 0.81 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.51 3k8u h LEU 41 CO 0.06 0.36 0.00 -1.54 -1.08 0.00 0.00 178.44 176.24 3k8u n SER 42 N -4.26 2.09 -2.98 -0.43 3.41 -0.06 -4.24 113.62 107.15 3k8u n SER 42 Ca -0.01 -1.75 -0.22 0.00 -0.26 0.00 0.00 58.87 56.63 3k8u n SER 42 Cb 0.29 -0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.16 3k8u n SER 42 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3k8u n LYS 43 N 0.61 -4.43 -2.03 4.33 5.02 -1.01 -4.50 118.16 116.15 3k8u n LYS 43 Ca 0.17 0.88 -0.42 0.00 -2.02 0.00 0.00 58.31 56.92 3k8u n LYS 43 Cb 0.41 -5.71 -0.03 0.00 -0.02 0.00 0.00 35.03 29.68 3k8u n LYS 43 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3k8u s THR 44 N -3.14 2.90 0.00 -0.18 2.01 -0.60 -4.94 115.64 111.69 3k8u s THR 44 Ca 0.28 0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.92 3k8u s THR 44 Cb -0.13 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 68.98 3k8u s THR 44 CO 0.34 0.05 0.00 -0.46 -0.69 0.00 0.00 174.62 173.86 3k8u n ASN 45 N 4.02 1.78 -0.33 3.53 0.23 -0.79 -4.88 115.26 118.82 3k8u n ASN 45 Ca 0.13 -0.60 0.05 0.00 -0.53 0.00 0.00 54.58 53.63 3k8u n ASN 45 Cb 0.40 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.30 3k8u n ASN 45 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3k8u h LYS 46 N 0.00 0.86 0.00 -3.83 3.64 -1.95 -0.97 116.57 114.32 3k8u h LYS 46 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3k8u h LYS 46 Cb 0.00 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3k8u h LYS 46 CO 0.00 0.57 0.00 1.96 -2.27 0.00 0.00 179.45 179.71 3k8u h GLN 47 N 0.89 0.00 0.00 1.90 4.20 -1.96 -3.43 115.11 116.71 3k8u h GLN 47 Ca 0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.15 3k8u h GLN 47 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3k8u h GLN 47 CO -0.26 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.31 3k8u n GLY 48 N 0.35 0.30 3.43 3.46 0.00 -0.37 -4.73 105.19 107.63 3k8u n GLY 48 Ca 0.02 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 3k8u n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k8u s THR 49 N 0.00 2.87 0.55 2.61 2.01 -1.26 -1.89 115.64 120.52 3k8u s THR 49 Ca 0.00 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 3k8u s THR 49 Cb 0.00 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.41 3k8u s THR 49 CO 0.00 0.58 0.83 0.42 -0.69 0.00 0.00 174.62 175.76 3k8u s THR 50 N -0.56 3.65 0.34 -0.82 -4.23 -1.26 -4.88 115.64 107.87 3k8u s THR 50 Ca 0.08 -0.19 0.03 0.00 -1.18 0.00 0.00 61.69 60.42 3k8u s THR 50 Cb -0.11 -3.42 0.20 0.00 1.34 0.00 0.00 72.50 70.51 3k8u s THR 50 CO 0.01 -0.38 1.93 0.00 -0.54 0.00 0.00 174.62 175.64 3k8u h ALA 51 N -0.01 1.43 -0.68 3.99 0.00 -2.00 -1.90 119.26 120.10 3k8u h ALA 51 Ca -0.45 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 3k8u h ALA 51 Cb 1.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3k8u h ALA 51 CO 0.59 0.43 0.20 1.25 0.00 0.00 0.00 179.25 181.72 3k8u h LEU 52 N 0.67 1.00 -0.71 0.00 7.12 -1.98 -1.92 115.31 119.50 3k8u h LEU 52 Ca 0.16 -0.22 -0.02 0.00 0.13 0.00 0.00 57.88 57.93 3k8u h LEU 52 Cb 0.15 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 39.98 3k8u h LEU 52 CO -0.01 0.95 0.36 1.23 -0.13 0.00 0.00 178.44 180.84 3k8u h GLY 53 N 1.00 1.08 0.91 3.75 0.00 -1.59 0.92 103.07 109.13 3k8u h GLY 53 Ca 0.22 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3k8u h GLY 53 CO -0.00 0.50 0.10 -2.22 0.00 0.00 0.00 176.54 174.92 3k8u h ILE 54 N 0.98 1.18 -0.32 2.60 2.04 -1.17 -1.74 117.51 121.08 3k8u h ILE 54 Ca 0.25 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3k8u h ILE 54 Cb 0.09 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3k8u h ILE 54 CO -0.03 0.18 0.18 0.58 0.00 0.00 0.00 178.15 179.06 3k8u h VAL 55 N 0.28 1.13 -0.58 1.67 2.07 -1.07 -0.85 116.25 118.89 3k8u h VAL 55 Ca 0.09 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3k8u h VAL 55 Cb 0.19 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3k8u h VAL 55 CO -0.01 0.13 0.37 -0.33 0.02 0.00 0.00 177.57 177.75 3k8u h GLU 56 N 0.40 0.78 -0.31 1.57 5.08 -0.75 -1.47 114.58 119.88 3k8u h GLU 56 Ca 0.11 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3k8u h GLU 56 Cb 0.04 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3k8u h GLU 56 CO -0.02 0.55 0.11 0.00 -1.00 0.00 0.00 179.01 178.65 3k8u h ALA 57 N 1.19 0.41 -0.96 3.43 0.00 -1.12 -2.14 119.26 120.06 3k8u h ALA 57 Ca 0.21 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3k8u h ALA 57 Cb -0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 3k8u h ALA 57 CO -0.04 0.03 0.62 0.00 0.00 0.00 0.00 179.25 179.86 3k8u h ALA 58 N 0.95 1.29 -0.38 0.00 0.00 -0.88 -1.44 119.26 118.80 3k8u h ALA 58 Ca 0.10 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3k8u h ALA 58 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3k8u h ALA 58 CO -0.01 0.47 -0.14 0.87 0.00 0.00 0.00 179.25 180.44 3k8u h LYS 59 N 1.18 0.68 0.00 0.00 1.57 -1.06 -1.36 116.57 117.58 3k8u h LYS 59 Ca 0.39 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3k8u h LYS 59 Cb 0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3k8u h LYS 59 CO -0.14 0.79 -0.19 0.87 -0.57 0.00 0.00 179.45 180.21 3k8u h LYS 60 N 0.61 0.00 -0.00 3.15 1.57 -0.67 -2.12 116.57 119.11 3k8u h LYS 60 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3k8u h LYS 60 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3k8u h LYS 60 CO 0.04 0.19 -0.05 1.28 -0.57 0.00 0.00 179.45 180.34 3k8u n LEU 61 N -3.44 0.54 0.00 2.94 4.77 -0.62 -4.91 117.00 116.29 3k8u n LEU 61 Ca -0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3k8u n LEU 61 Cb 0.37 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3k8u n LEU 61 CO 0.32 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3k8u n GLY 62 N 1.17 0.84 3.76 -0.72 0.00 -0.80 -5.06 105.19 104.38 3k8u n GLY 62 Ca 0.18 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 3k8u n GLY 62 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k8u s PHE 63 N -2.00 3.29 -0.09 1.61 0.08 -0.58 -2.96 117.98 117.33 3k8u s PHE 63 Ca 0.00 0.27 -0.26 0.00 0.12 0.00 0.00 56.93 57.06 3k8u s PHE 63 Cb 0.00 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 3k8u s PHE 63 CO 0.00 0.55 0.84 -2.00 -0.10 0.00 0.00 175.22 174.51 3k8u s GLU 64 N -1.21 4.42 0.17 0.44 2.12 0.32 -4.08 118.70 120.87 3k8u s GLU 64 Ca 0.17 1.10 0.09 0.00 0.36 0.00 0.00 54.97 56.69 3k8u s GLU 64 Cb -0.12 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 3k8u s GLU 64 CO 0.07 -0.13 -0.19 0.95 -0.54 0.00 0.00 175.26 175.42 3k8u s THR 65 N 1.42 1.86 -0.17 -1.70 -4.23 -1.26 -0.93 115.64 110.63 3k8u s THR 65 Ca 0.42 -1.93 -0.14 0.00 -1.18 0.00 0.00 61.69 58.87 3k8u s THR 65 Cb -0.18 -1.86 0.05 0.00 1.34 0.00 0.00 72.50 71.84 3k8u s THR 65 CO 0.18 -0.30 0.44 0.00 -0.54 0.00 0.00 174.62 174.40 3k8u s ARG 66 N -2.79 0.49 -0.14 3.99 1.70 -0.74 -5.01 118.95 116.44 3k8u s ARG 66 Ca 0.16 0.68 0.01 0.00 -0.47 0.00 0.00 55.73 56.10 3k8u s ARG 66 Cb -0.06 0.17 -0.00 0.00 -0.57 0.00 0.00 34.95 34.49 3k8u s ARG 66 CO 0.07 -0.09 -0.16 -1.12 -1.08 0.00 0.00 175.30 172.92 3k8u s SER 67 N 0.58 3.64 0.14 -2.89 0.01 -1.26 -1.06 113.70 112.86 3k8u s SER 67 Ca -0.03 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 56.82 3k8u s SER 67 Cb -0.05 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 3k8u s SER 67 CO -0.04 0.11 -0.10 0.27 0.41 0.00 0.00 173.24 173.89 3k8u s ILE 68 N 0.68 1.12 -0.28 1.44 -4.36 -0.27 -4.99 121.20 114.54 3k8u s ILE 68 Ca -0.08 -2.04 -0.08 0.00 -0.26 0.00 0.00 60.65 58.20 3k8u s ILE 68 Cb -0.16 -1.82 -0.01 0.00 1.25 0.00 0.00 42.46 41.73 3k8u s ILE 68 CO 0.02 -0.75 0.09 -0.54 0.24 0.00 0.00 174.94 174.00 3k8u s LYS 69 N -3.72 3.34 0.31 0.37 -0.14 -1.26 -1.07 119.74 117.56 3k8u s LYS 69 Ca 0.16 -0.70 0.02 0.00 -1.36 0.00 0.00 55.97 54.09 3k8u s LYS 69 Cb 0.03 -3.40 -0.01 0.00 -1.68 0.00 0.00 37.83 32.77 3k8u s LYS 69 CO -0.00 -0.35 0.06 0.00 -0.76 0.00 0.00 175.35 174.30 3k8u n ALA 70 N 4.91 0.36 -4.22 5.17 0.00 0.13 -4.99 120.51 121.87 3k8u n ALA 70 Ca -0.15 -1.50 -0.22 0.00 0.00 0.00 0.00 53.44 51.57 3k8u n ALA 70 Cb 0.49 0.92 -0.07 0.00 0.00 0.00 0.00 19.45 20.80 3k8u n ALA 70 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k8u n ASP 71 N -1.48 0.10 0.19 0.00 5.68 -1.26 -4.51 116.55 115.26 3k8u n ASP 71 Ca -0.09 -2.96 0.13 0.00 -0.50 0.00 0.00 54.79 51.38 3k8u n ASP 71 Cb 0.43 1.27 0.67 0.00 -1.14 0.00 0.00 41.12 42.35 3k8u n ASP 71 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3k8u h MET 72 N 0.00 0.00 0.00 0.11 2.86 -1.99 -2.13 114.93 113.78 3k8u h MET 72 Ca -0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 3k8u h MET 72 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3k8u h MET 72 CO 0.36 0.00 0.00 1.79 1.06 0.00 0.00 176.91 180.12 3k8u h THR 73 N 0.00 0.00 -0.97 2.22 1.35 -2.01 -2.48 112.91 111.02 3k8u h THR 73 Ca 0.00 -0.24 0.15 0.00 -0.55 0.00 0.00 66.41 65.77 3k8u h THR 73 Cb 0.13 1.03 -0.09 0.00 -1.73 0.00 0.00 68.15 67.49 3k8u h THR 73 CO 0.00 0.00 0.61 0.25 -0.25 0.00 0.00 175.52 176.13 3k8u h LEU 74 N 0.00 0.79 0.00 3.87 5.85 -1.80 -0.47 115.31 123.54 3k8u h LEU 74 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3k8u h LEU 74 Cb 0.31 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3k8u h LEU 74 CO 0.00 0.37 0.00 0.49 -0.34 0.00 0.00 178.44 178.96 3k8u n PHE 75 N -4.64 0.00 1.11 1.25 3.72 -0.93 -2.43 117.46 115.54 3k8u n PHE 75 Ca 0.20 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.72 3k8u n PHE 75 Cb 0.47 -0.31 0.18 0.00 -0.94 0.00 0.00 39.48 38.88 3k8u n PHE 75 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3k8u n ASP 76 N -1.31 2.43 -4.51 4.37 8.00 -0.19 -4.81 116.55 120.52 3k8u n ASP 76 Ca 0.10 -1.75 -0.43 0.00 0.71 0.00 0.00 54.79 53.42 3k8u n ASP 76 Cb 0.19 0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 3k8u n ASP 76 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3k8u s TYR 77 N -2.11 2.92 0.55 1.24 5.04 -1.02 -4.94 117.35 119.02 3k8u s TYR 77 Ca 0.28 -0.05 0.42 0.00 -2.44 0.00 0.00 57.07 55.28 3k8u s TYR 77 Cb 0.20 -3.81 2.24 0.00 0.35 0.00 0.00 41.96 40.94 3k8u s TYR 77 CO 0.37 -1.15 2.29 -0.91 -1.34 0.00 0.00 175.55 174.80 3k8u h ASN 78 N 9.13 0.00 -0.52 4.32 2.35 -1.88 -2.05 115.58 126.92 3k8u h ASN 78 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 3k8u h ASN 78 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 3k8u h ASN 78 CO 1.02 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 177.27 3k8u n ASP 79 N -3.02 2.85 -4.74 5.81 8.00 -1.26 -4.96 116.55 119.23 3k8u n ASP 79 Ca -0.02 -2.02 -0.42 0.00 0.71 0.00 0.00 54.79 53.03 3k8u n ASP 79 Cb 0.10 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.81 3k8u n ASP 79 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3k8u s LEU 80 N -1.03 4.36 -0.25 0.64 2.96 -0.78 -4.97 118.68 119.61 3k8u s LEU 80 Ca 0.35 2.88 -0.14 0.00 -0.22 0.00 0.00 54.13 57.00 3k8u s LEU 80 Cb 0.19 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 3k8u s LEU 80 CO 0.23 -0.91 0.34 0.42 -1.32 0.00 0.00 176.35 175.11 3k8u s THR 81 N 0.46 5.21 0.16 3.68 -4.23 -1.26 -5.08 115.64 114.59 3k8u s THR 81 Ca 0.67 0.52 0.05 0.00 -1.18 0.00 0.00 61.69 61.75 3k8u s THR 81 Cb -0.48 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 69.66 3k8u s THR 81 CO 0.41 0.20 0.11 -0.31 -0.54 0.00 0.00 174.62 174.50 3k8u s TYR 82 N 1.78 3.10 0.49 3.99 2.02 -1.26 -4.57 117.35 122.90 3k8u s TYR 82 Ca 0.14 -0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.82 3k8u s TYR 82 Cb -0.15 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 39.92 3k8u s TYR 82 CO 0.09 0.52 0.71 -1.25 -1.57 0.00 0.00 175.55 174.05 3k8u s PRO 83 N -3.02 2.80 0.25 -1.71 0.04 -1.26 -5.09 135.00 127.01 3k8u s PRO 83 Ca 0.30 -0.67 -0.08 0.00 0.04 0.00 0.00 61.00 60.59 3k8u s PRO 83 Cb -0.10 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 3k8u s PRO 83 CO 0.22 -0.48 0.37 -0.59 0.04 0.00 0.00 177.00 176.57 3k8u s PHE 84 N -2.64 0.70 -0.07 0.56 -0.12 -0.92 -4.73 117.98 110.77 3k8u s PHE 84 Ca 0.53 -1.00 -0.02 0.00 -0.05 0.00 0.00 56.93 56.39 3k8u s PHE 84 Cb -0.10 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 3k8u s PHE 84 CO 0.38 -0.91 0.05 0.42 -0.05 0.00 0.00 175.22 175.11 3k8u s ILE 85 N -3.93 4.65 0.06 -4.49 1.01 -0.19 -0.20 121.20 118.11 3k8u s ILE 85 Ca 0.29 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.77 3k8u s ILE 85 Cb 0.02 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 3k8u s ILE 85 CO 0.11 0.53 -0.13 0.68 0.00 0.00 0.00 174.94 176.14 3k8u s VAL 86 N -1.01 1.00 -0.24 2.92 -7.23 -0.60 0.10 120.40 115.34 3k8u s VAL 86 Ca 0.16 -1.24 -0.14 0.00 -1.81 0.00 0.00 61.98 58.95 3k8u s VAL 86 Cb -0.12 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 3k8u s VAL 86 CO 0.06 -0.25 0.32 -2.28 -0.31 0.00 0.00 175.10 172.65 3k8u s HIS 87 N -1.27 3.30 -0.02 2.82 2.46 -1.03 -1.64 115.29 119.91 3k8u s HIS 87 Ca -0.03 0.41 0.05 0.00 0.47 0.00 0.00 55.06 55.96 3k8u s HIS 87 Cb -0.10 -2.48 -0.01 0.00 -0.13 0.00 0.00 32.58 29.86 3k8u s HIS 87 CO 0.02 -0.09 -0.17 0.14 -2.47 0.00 0.00 174.74 172.17 3k8u s VAL 88 N 1.60 1.35 -0.27 0.89 -7.23 -0.63 -1.79 120.40 114.32 3k8u s VAL 88 Ca 0.14 -0.71 -0.16 0.00 -1.81 0.00 0.00 61.98 59.43 3k8u s VAL 88 Cb -0.15 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 3k8u s VAL 88 CO 0.08 0.38 0.44 -0.63 -0.31 0.00 0.00 175.10 175.06 3k8u s ILE 89 N -0.28 5.13 -0.31 -0.62 -1.09 0.44 -3.79 121.20 120.67 3k8u s ILE 89 Ca 0.04 0.70 0.02 0.00 -2.23 0.00 0.00 60.65 59.18 3k8u s ILE 89 Cb -0.08 -3.76 0.09 0.00 -1.58 0.00 0.00 42.46 37.13 3k8u s ILE 89 CO -0.00 0.12 0.03 -0.54 -1.23 0.00 0.00 174.94 173.32 3k8u s LYS 90 N 2.18 1.42 7.55 2.79 1.02 -1.05 -4.69 119.74 128.96 3k8u s LYS 90 Ca 0.18 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.63 3k8u s LYS 90 Cb -0.16 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 3k8u s LYS 90 CO 0.10 -0.86 0.00 0.41 -0.92 0.00 0.00 175.35 174.07 3k8u n GLY 91 N 4.45 2.87 0.36 -3.33 0.00 -1.26 -1.21 105.19 107.06 3k8u n GLY 91 Ca -0.01 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.91 3k8u n GLY 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k8u n LYS 92 N 13.54 1.49 -2.40 1.61 5.02 -1.26 -4.77 118.16 131.40 3k8u n LYS 92 Ca 0.00 -0.72 -0.40 0.00 -2.02 0.00 0.00 58.31 55.16 3k8u n LYS 92 Cb 0.00 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 3k8u n LYS 92 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3k8u s ARG 93 N -1.97 3.06 0.00 1.97 0.52 -0.35 -4.84 118.95 117.34 3k8u s ARG 93 Ca 0.39 0.06 0.27 0.00 -0.52 0.00 0.00 55.73 55.93 3k8u s ARG 93 Cb 0.20 -4.22 0.97 0.00 0.52 0.00 0.00 34.95 32.42 3k8u s ARG 93 CO 0.33 -2.27 1.69 1.28 0.02 0.00 0.00 175.30 176.35 3k8u n LEU 94 N 10.24 1.09 -2.67 2.53 4.77 -1.26 -2.54 117.00 129.16 3k8u n LEU 94 Ca 0.08 -0.31 -0.17 0.00 -0.03 0.00 0.00 56.01 55.59 3k8u n LEU 94 Cb 0.50 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.52 3k8u n LEU 94 CO 0.71 0.19 -0.02 0.00 -1.33 0.00 0.00 177.39 176.95 3k8u n GLN 95 N -0.40 1.98 -4.24 3.23 1.13 -1.26 -4.96 117.38 112.86 3k8u n GLN 95 Ca 0.15 -3.76 -0.31 0.00 -1.94 0.00 0.00 57.00 51.14 3k8u n GLN 95 Cb 0.33 -1.67 -0.09 0.00 0.11 0.00 0.00 30.24 28.93 3k8u n GLN 95 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3k8u s HIS 96 N -3.21 3.01 0.06 1.08 2.46 -1.25 -4.65 115.29 112.80 3k8u s HIS 96 Ca 0.36 0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.91 3k8u s HIS 96 Cb 0.42 -1.60 -0.04 0.00 -0.13 0.00 0.00 32.58 31.23 3k8u s HIS 96 CO -0.06 0.46 -0.05 0.71 -2.47 0.00 0.00 174.74 173.34 3k8u s TYR 97 N -1.17 0.62 0.22 3.88 2.02 -1.26 -1.60 117.35 120.05 3k8u s TYR 97 Ca 0.22 -0.90 0.07 0.00 -0.37 0.00 0.00 57.07 56.09 3k8u s TYR 97 Cb -0.12 -0.41 -0.05 0.00 -0.40 0.00 0.00 41.96 40.99 3k8u s TYR 97 CO 0.13 -0.26 -0.12 0.71 -1.57 0.00 0.00 175.55 174.45 3k8u s TYR 98 N -3.30 1.72 -0.11 2.71 2.02 -0.65 -4.48 117.35 115.27 3k8u s TYR 98 Ca 0.04 -0.63 -0.04 0.00 -0.37 0.00 0.00 57.07 56.07 3k8u s TYR 98 Cb 0.03 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 40.70 3k8u s TYR 98 CO -0.06 0.30 0.06 0.08 -1.57 0.00 0.00 175.55 174.36 3k8u s VAL 99 N -3.03 4.77 -0.23 0.71 1.01 0.05 -1.55 120.40 122.13 3k8u s VAL 99 Ca 0.24 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 3k8u s VAL 99 Cb 0.01 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 3k8u s VAL 99 CO 0.08 0.59 -0.01 -0.69 0.00 0.00 0.00 175.10 175.07 3k8u s VAL 100 N -0.74 3.61 -0.13 2.92 1.01 0.72 0.11 120.40 127.90 3k8u s VAL 100 Ca 0.12 -0.46 0.18 0.00 0.00 0.00 0.00 61.98 61.82 3k8u s VAL 100 Cb -0.12 -2.68 -0.23 0.00 0.00 0.00 0.00 36.38 33.35 3k8u s VAL 100 CO 0.03 0.36 0.43 -1.22 0.00 0.00 0.00 175.10 174.70 3k8u n TYR 101 N 4.83 0.42 -2.89 5.22 4.01 -0.06 -2.16 117.16 126.52 3k8u n TYR 101 Ca -0.17 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3k8u n TYR 101 Cb 0.51 -0.97 0.00 0.00 -0.31 0.00 0.00 39.34 38.57 3k8u n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k8u n GLY 102 N 1.54 -1.34 2.99 2.72 0.00 -1.18 -4.74 105.19 105.18 3k8u n GLY 102 Ca -0.19 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 3k8u n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k8u s SER 103 N -3.48 -0.10 -0.18 1.61 1.04 -1.26 -0.73 113.70 110.60 3k8u s SER 103 Ca 0.00 0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.56 3k8u s SER 103 Cb 0.00 0.22 0.09 0.00 0.10 0.00 0.00 66.02 66.42 3k8u s SER 103 CO 0.00 -0.06 0.29 -1.58 0.98 0.00 0.00 173.24 172.87 3k8u s GLN 104 N -0.06 0.22 7.33 4.02 0.74 0.23 -4.96 119.66 127.18 3k8u s GLN 104 Ca -0.01 0.60 0.00 0.00 0.05 0.00 0.00 55.36 56.00 3k8u s GLN 104 Cb -0.01 -0.38 0.00 0.00 1.10 0.00 0.00 33.01 33.72 3k8u s GLN 104 CO 0.00 -0.45 0.00 0.09 -0.55 0.00 0.00 175.29 174.39 3k8u n ASN 105 N 5.35 0.00 -1.88 6.67 4.13 -1.26 -2.14 115.26 126.12 3k8u n ASN 105 Ca -0.06 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.13 3k8u n ASN 105 Cb 0.50 0.00 0.27 0.00 -1.54 0.00 0.00 39.78 39.01 3k8u n ASN 105 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3k8u n ASN 106 N 7.32 4.40 -4.19 6.41 5.15 -1.26 -4.96 115.26 128.13 3k8u n ASN 106 Ca 0.00 -3.32 -0.14 0.00 -0.60 0.00 0.00 54.58 50.52 3k8u n ASN 106 Cb 0.00 -0.74 -0.10 0.00 -0.53 0.00 0.00 39.78 38.41 3k8u n ASN 106 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3k8u s GLN 107 N -3.06 0.89 0.10 1.20 -0.21 -0.91 -1.47 119.66 116.21 3k8u s GLN 107 Ca 0.54 -1.25 0.09 0.00 0.02 0.00 0.00 55.36 54.75 3k8u s GLN 107 Cb 0.44 -0.49 -0.04 0.00 1.00 0.00 0.00 33.01 33.92 3k8u s GLN 107 CO 0.12 0.06 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.63 3k8u s LEU 108 N -2.71 2.57 -0.35 2.90 1.43 0.68 -0.60 118.68 122.59 3k8u s LEU 108 Ca 0.09 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.47 3k8u s LEU 108 Cb -0.00 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 3k8u s LEU 108 CO -0.01 0.20 0.28 -0.63 0.23 0.00 0.00 176.35 176.42 3k8u s ILE 109 N -1.07 5.26 0.28 -0.59 1.01 0.09 -0.65 121.20 125.53 3k8u s ILE 109 Ca 0.16 -0.23 0.11 0.00 0.00 0.00 0.00 60.65 60.69 3k8u s ILE 109 Cb -0.10 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 3k8u s ILE 109 CO 0.08 -0.08 -0.18 0.27 0.00 0.00 0.00 174.94 175.03 3k8u s ILE 110 N 1.78 2.40 -0.26 2.92 -5.25 -0.08 -0.89 121.20 121.82 3k8u s ILE 110 Ca 0.07 -2.37 0.03 0.00 -0.99 0.00 0.00 60.65 57.38 3k8u s ILE 110 Cb -0.17 -2.32 0.06 0.00 2.95 0.00 0.00 42.46 42.98 3k8u s ILE 110 CO 0.11 -0.39 -0.08 -0.83 -1.79 0.00 0.00 174.94 171.95 3k8u s GLY 111 N -3.51 1.62 -0.32 6.27 0.00 0.12 -1.22 107.32 110.29 3k8u s GLY 111 Ca 0.30 -1.78 -0.11 0.00 0.00 0.00 0.00 44.72 43.13 3k8u s GLY 111 CO 0.15 0.70 0.19 -0.35 0.00 0.00 0.00 173.10 173.78 3k8u s ASP 112 N 1.13 5.74 0.64 1.64 -1.08 -0.40 -0.77 116.67 123.58 3k8u s ASP 112 Ca -0.06 -0.48 0.29 0.00 -0.52 0.00 0.00 52.55 51.77 3k8u s ASP 112 Cb -0.20 -2.05 1.53 0.00 -1.46 0.00 0.00 42.92 40.73 3k8u s ASP 112 CO -0.06 -0.21 1.89 -0.65 0.52 0.00 0.00 175.17 176.66 3k8u h PRO 113 N 8.40 0.00 -6.18 4.34 0.11 -1.86 -1.92 132.00 134.89 3k8u h PRO 113 Ca -0.32 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.14 3k8u h PRO 113 Cb 1.15 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.27 3k8u h PRO 113 CO 0.62 0.00 1.13 -3.47 -0.21 0.00 0.00 178.00 176.07 3k8u n ASP 114 N -3.21 3.00 0.13 -2.05 -0.08 -1.26 -0.89 116.55 112.20 3k8u n ASP 114 Ca 0.02 0.87 0.09 0.00 -1.51 0.00 0.00 54.79 54.26 3k8u n ASP 114 Cb 0.50 -1.31 0.48 0.00 2.34 0.00 0.00 41.12 43.14 3k8u n ASP 114 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3k8u n PRO 115 N 6.75 0.12 -0.01 -0.67 -0.04 -1.26 -1.19 135.00 138.69 3k8u n PRO 115 Ca 0.27 0.59 0.13 0.00 -0.04 0.00 0.00 63.50 64.44 3k8u n PRO 115 Cb 0.25 -1.87 0.36 0.00 -0.04 0.00 0.00 33.50 32.20 3k8u n PRO 115 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3k8u n SER 116 N -2.12 2.10 0.06 3.54 3.41 -1.26 -4.56 113.62 114.78 3k8u n SER 116 Ca -0.01 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 3k8u n SER 116 Cb 0.05 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3k8u n SER 116 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3k8u n VAL 117 N 0.64 1.02 -4.02 -3.33 0.31 -0.33 -5.11 118.33 107.50 3k8u n VAL 117 Ca 0.17 0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.84 3k8u n VAL 117 Cb 0.45 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 3k8u n VAL 117 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3k8u n LYS 118 N -3.43 0.00 -2.74 5.55 5.02 -0.45 -4.54 118.16 117.56 3k8u n LYS 118 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3k8u n LYS 118 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3k8u n LYS 118 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3k8u s VAL 119 N 0.00 4.80 0.21 -0.18 1.01 -1.26 -1.27 120.40 123.72 3k8u s VAL 119 Ca 0.00 1.92 -0.16 0.00 0.00 0.00 0.00 61.98 63.74 3k8u s VAL 119 Cb 0.00 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.13 3k8u s VAL 119 CO 0.00 -0.01 0.51 0.28 0.00 0.00 0.00 175.10 175.88 3k8u s THR 120 N 2.17 0.02 0.02 3.92 -1.32 -0.35 -5.01 115.64 115.09 3k8u s THR 120 Ca 0.45 -1.03 -0.15 0.00 -1.21 0.00 0.00 61.69 59.75 3k8u s THR 120 Cb -0.17 -1.81 -0.06 0.00 -1.51 0.00 0.00 72.50 68.95 3k8u s THR 120 CO 0.15 -0.10 0.43 -0.13 -2.21 0.00 0.00 174.62 172.76 3k8u s ARG 121 N -3.92 3.94 -0.02 7.08 0.52 -1.26 -0.90 118.95 124.39 3k8u s ARG 121 Ca 0.14 0.44 0.02 0.00 -0.52 0.00 0.00 55.73 55.80 3k8u s ARG 121 Cb -0.01 -3.20 0.01 0.00 0.52 0.00 0.00 34.95 32.26 3k8u s ARG 121 CO 0.01 0.67 -0.05 1.41 0.02 0.00 0.00 175.30 177.37 3k8u s MET 122 N -1.15 0.58 0.55 3.54 1.75 0.18 -4.95 119.30 119.79 3k8u s MET 122 Ca 0.25 -0.17 -0.21 0.00 -1.25 0.00 0.00 55.69 54.32 3k8u s MET 122 Cb -0.17 -0.59 -0.05 0.00 2.84 0.00 0.00 34.83 36.87 3k8u s MET 122 CO 0.14 0.05 1.26 -1.54 -0.65 0.00 0.00 175.02 174.29 3k8u s SER 123 N 0.24 5.40 0.48 1.11 1.04 -1.26 -0.23 113.70 120.47 3k8u s SER 123 Ca -0.03 2.53 0.15 0.00 0.48 0.00 0.00 55.95 59.08 3k8u s SER 123 Cb -0.07 -2.62 1.10 0.00 0.10 0.00 0.00 66.02 64.54 3k8u s SER 123 CO -0.00 -1.46 2.06 0.11 0.98 0.00 0.00 173.24 174.93 3k8u h LYS 124 N 1.35 0.04 -0.02 4.02 1.57 -1.59 -1.89 116.57 120.04 3k8u h LYS 124 Ca -0.50 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3k8u h LYS 124 Cb 1.29 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 3k8u h LYS 124 CO 0.57 0.12 0.00 1.49 -0.57 0.00 0.00 179.45 181.06 3k8u h GLU 125 N 0.04 0.03 -0.15 3.15 4.57 -1.90 -0.11 114.58 120.20 3k8u h GLU 125 Ca 0.01 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3k8u h GLU 125 Cb 0.16 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3k8u h GLU 125 CO 0.01 0.27 0.09 -0.09 -1.18 0.00 0.00 179.01 178.11 3k8u h ARG 126 N -0.22 0.21 -0.25 1.92 9.65 -1.87 -2.41 114.38 121.41 3k8u h ARG 126 Ca 0.00 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.88 3k8u h ARG 126 Cb 0.26 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 3k8u h ARG 126 CO 0.00 0.21 0.12 0.35 2.80 0.00 0.00 179.97 183.45 3k8u h PHE 127 N 0.15 0.23 -0.74 2.20 3.57 -1.31 -2.21 116.94 118.83 3k8u h PHE 127 Ca 0.05 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.68 3k8u h PHE 127 Cb 0.06 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 3k8u h PHE 127 CO -0.04 0.13 0.49 0.37 -2.23 0.00 0.00 178.31 177.02 3k8u h GLN 128 N 0.26 0.52 -0.11 1.11 4.15 -0.89 0.15 115.11 120.29 3k8u h GLN 128 Ca 0.10 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.39 3k8u h GLN 128 Cb 0.03 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 3k8u h GLN 128 CO -0.07 0.34 -0.41 0.77 -1.93 0.00 0.00 178.83 177.53 3k8u h SER 129 N 0.53 0.25 0.33 -0.69 0.02 -0.89 -3.30 113.55 109.81 3k8u h SER 129 Ca 0.35 -0.11 -0.32 0.00 -0.84 0.00 0.00 61.79 60.88 3k8u h SER 129 Cb 0.64 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.05 3k8u h SER 129 CO -0.12 0.64 -1.91 -0.62 -1.14 0.00 0.00 176.83 173.68 3k8u n GLU 130 N -4.03 0.66 -2.07 3.45 1.02 -0.65 -4.94 120.64 114.08 3k8u n GLU 130 Ca -0.01 0.22 -0.42 0.00 -0.02 0.00 0.00 57.16 56.93 3k8u n GLU 130 Cb 0.48 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 3k8u n GLU 130 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 3k8u s TRP 131 N -2.57 3.05 -0.90 -0.32 -0.00 -0.05 -0.42 118.94 117.73 3k8u s TRP 131 Ca -0.08 0.75 0.27 0.00 -0.00 0.00 0.00 56.10 57.04 3k8u s TRP 131 Cb 0.07 -3.80 1.07 0.00 -0.00 0.00 0.00 33.47 30.81 3k8u s TRP 131 CO 0.81 -2.92 1.85 0.25 -0.00 0.00 0.00 176.95 176.95 3k8u n THR 132 N 4.11 0.26 0.00 5.86 -2.24 -0.74 -4.89 114.28 116.65 3k8u n THR 132 Ca 0.13 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3k8u n THR 132 Cb 0.41 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 3k8u n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k8u n GLY 133 N 1.32 1.90 3.70 3.38 0.00 -1.26 -4.92 105.19 109.31 3k8u n GLY 133 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3k8u n GLY 133 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k8u s LEU 134 N 0.00 4.34 -0.03 0.99 2.96 -1.26 0.20 118.68 125.89 3k8u s LEU 134 Ca 0.00 1.96 0.02 0.00 -0.22 0.00 0.00 54.13 55.90 3k8u s LEU 134 Cb 0.00 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.12 3k8u s LEU 134 CO 0.00 -0.51 -0.09 0.00 -1.32 0.00 0.00 176.35 174.42 3k8u s ALA 135 N 1.47 0.89 -0.19 5.97 0.00 -0.24 -2.45 121.76 127.21 3k8u s ALA 135 Ca 0.58 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 3k8u s ALA 135 Cb -0.28 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.51 3k8u s ALA 135 CO 0.27 0.13 -0.15 0.42 0.00 0.00 0.00 175.76 176.43 3k8u s ILE 136 N 0.26 2.48 -0.13 0.00 1.01 0.11 -1.11 121.20 123.82 3k8u s ILE 136 Ca -0.04 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 3k8u s ILE 136 Cb -0.09 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 3k8u s ILE 136 CO 0.01 0.50 0.03 -0.36 0.00 0.00 0.00 174.94 175.11 3k8u s PHE 137 N 1.35 3.20 0.08 3.97 0.08 -0.22 -1.03 117.98 125.41 3k8u s PHE 137 Ca 0.05 0.10 0.08 0.00 0.12 0.00 0.00 56.93 57.28 3k8u s PHE 137 Cb -0.13 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 3k8u s PHE 137 CO -0.10 0.31 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.61 3k8u s LEU 138 N -0.29 2.24 -0.18 -0.37 1.43 -1.26 -1.80 118.68 118.45 3k8u s LEU 138 Ca 0.07 -0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 52.41 3k8u s LEU 138 Cb -0.12 -0.94 0.05 0.00 0.03 0.00 0.00 46.19 45.21 3k8u s LEU 138 CO 0.02 0.11 0.47 0.00 0.23 0.00 0.00 176.35 177.17 3k8u s ALA 139 N -1.00 -1.17 0.11 4.21 0.00 -0.11 -4.95 121.76 118.85 3k8u s ALA 139 Ca 0.07 1.43 -0.31 0.00 0.00 0.00 0.00 51.96 53.16 3k8u s ALA 139 Cb -0.09 -0.84 -0.09 0.00 0.00 0.00 0.00 23.12 22.09 3k8u s ALA 139 CO 0.03 -0.24 1.64 -2.14 0.00 0.00 0.00 175.76 175.05 3k8u s PRO 140 N 0.61 4.20 0.00 0.00 0.02 -1.26 0.12 135.00 138.68 3k8u s PRO 140 Ca -0.03 2.37 0.27 0.00 0.02 0.00 0.00 61.00 63.63 3k8u s PRO 140 Cb -0.05 -3.44 0.87 0.00 0.02 0.00 0.00 34.50 31.90 3k8u s PRO 140 CO -0.04 -0.70 1.64 0.00 -0.33 0.00 0.00 177.00 177.57