#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1c s GLN 3 N 0.00 3.62 0.14 5.55 0.74 -1.26 -4.24 119.66 124.20 1k1c s GLN 3 Ca 0.00 1.80 0.08 0.00 0.05 0.00 0.00 55.36 57.29 1k1c s GLN 3 Cb 0.00 -4.15 -0.04 0.00 1.10 0.00 0.00 33.01 29.92 1k1c s GLN 3 CO 0.00 -1.52 -0.17 -0.65 -0.55 0.00 0.00 175.29 172.39 1k1c s GLN 4 N 5.17 1.16 0.08 1.67 -1.52 -1.08 -4.93 119.66 120.20 1k1c s GLN 4 Ca 0.81 -1.30 -0.12 0.00 -1.95 0.00 0.00 55.36 52.80 1k1c s GLN 4 Cb -0.28 -1.19 0.01 0.00 -0.22 0.00 0.00 33.01 31.33 1k1c s GLN 4 CO 0.33 0.25 0.27 -1.59 -0.25 0.00 0.00 175.29 174.29 1k1c s LYS 5 N -2.59 0.87 -0.10 2.91 0.00 -1.26 -0.58 119.74 118.99 1k1c s LYS 5 Ca 0.12 -0.76 0.02 0.00 0.00 0.00 0.00 55.97 55.35 1k1c s LYS 5 Cb -0.06 0.37 0.01 0.00 0.00 0.00 0.00 37.83 38.15 1k1c s LYS 5 CO 0.05 -0.29 -0.18 0.08 0.00 0.00 0.00 175.35 175.01 1k1c s VAL 6 N -3.40 1.67 0.41 1.79 1.01 0.36 -4.90 120.40 117.35 1k1c s VAL 6 Ca 0.01 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.00 1k1c s VAL 6 Cb 0.02 -1.49 -0.10 0.00 0.00 0.00 0.00 36.38 34.81 1k1c s VAL 6 CO -0.09 0.47 0.97 -1.61 0.00 0.00 0.00 175.10 174.85 1k1c s GLU 7 N 0.74 4.24 -0.00 2.72 8.01 -1.26 -0.16 118.70 132.99 1k1c s GLU 7 Ca -0.11 1.23 -0.03 0.00 0.01 0.00 0.00 54.97 56.07 1k1c s GLU 7 Cb -0.16 -2.34 -0.00 0.00 -4.31 0.00 0.00 34.13 27.32 1k1c s GLU 7 CO 0.02 -0.03 0.06 0.14 0.01 0.00 0.00 175.26 175.46 1k1c s VAL 8 N -1.98 0.07 -0.20 2.63 -7.23 0.17 -4.89 120.40 108.97 1k1c s VAL 8 Ca 0.60 -0.58 -0.28 0.00 -1.81 0.00 0.00 61.98 59.91 1k1c s VAL 8 Cb -0.13 -0.28 0.00 0.00 0.56 0.00 0.00 36.38 36.53 1k1c s VAL 8 CO 0.18 -0.32 0.98 -0.60 -0.31 0.00 0.00 175.10 175.03 1k1c s ARG 9 N -1.01 4.29 -1.03 4.82 3.00 -1.26 0.27 118.95 128.02 1k1c s ARG 9 Ca -0.11 1.27 -0.25 0.00 -1.00 0.00 0.00 55.73 55.63 1k1c s ARG 9 Cb -0.06 -3.61 -0.16 0.00 0.00 0.00 0.00 34.95 31.11 1k1c s ARG 9 CO 0.00 -0.51 2.12 -1.17 0.00 0.00 0.00 175.30 175.73 1k1c s LEU 10 N 2.78 2.68 0.45 -0.88 1.98 0.42 -3.81 118.68 122.31 1k1c s LEU 10 Ca 0.43 -0.91 0.25 0.00 -2.89 0.00 0.00 54.13 51.02 1k1c s LEU 10 Cb -0.16 -2.58 0.94 0.00 0.66 0.00 0.00 46.19 45.05 1k1c s LEU 10 CO 0.09 -4.04 1.83 0.50 -1.89 0.00 0.00 176.35 172.84 1k1c h LYS 11 N 11.37 0.00 0.00 1.98 3.11 -0.95 0.17 116.57 132.24 1k1c h LYS 11 Ca 0.06 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 1k1c h LYS 11 Cb 0.99 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.22 1k1c h LYS 11 CO 1.08 0.19 -0.57 1.15 -2.81 0.00 0.00 179.45 178.48 1k1c h THR 12 N 0.00 0.00 -4.08 1.00 2.02 -1.21 -3.44 112.91 107.21 1k1c h THR 12 Ca -0.00 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1k1c h THR 12 Cb 0.74 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1k1c h THR 12 CO 0.02 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.52 1k1c n GLY 13 N 1.17 -0.36 4.18 2.16 0.00 -1.02 -1.93 105.19 109.39 1k1c n GLY 13 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1k1c n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k1c n LEU 14 N -2.00 -0.86 0.04 0.99 4.32 -0.72 -3.39 117.00 115.37 1k1c n LEU 14 Ca 0.00 -1.16 -0.01 0.00 -0.02 0.00 0.00 56.01 54.81 1k1c n LEU 14 Cb 0.36 -1.45 -0.01 0.00 -1.62 0.00 0.00 43.42 40.70 1k1c n LEU 14 CO 0.00 0.37 0.48 1.56 -1.22 0.00 0.00 177.39 178.58 1k1c h GLN 15 N -1.42 -0.09 0.00 3.23 1.08 -1.70 -3.42 115.11 112.79 1k1c h GLN 15 Ca -0.59 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.61 1k1c h GLN 15 Cb 1.28 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1k1c h GLN 15 CO 0.68 -0.06 0.00 0.00 -0.95 0.00 0.00 178.83 178.50 1k1c n ALA 16 N -2.05 0.00 -0.02 3.87 0.00 -1.26 -4.96 120.51 116.09 1k1c n ALA 16 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 1k1c n ALA 16 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 1k1c n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k1c n ARG 17 N -0.48 0.16 -0.20 0.00 5.12 -1.26 -3.64 116.66 116.37 1k1c n ARG 17 Ca 0.00 0.06 -0.04 0.00 -1.93 0.00 0.00 57.85 55.94 1k1c n ARG 17 Cb 0.00 -0.69 0.06 0.00 -1.16 0.00 0.00 32.46 30.67 1k1c n ARG 17 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1k1c h PRO 18 N -0.30 0.62 -0.68 5.56 0.13 -1.97 0.18 132.00 135.54 1k1c h PRO 18 Ca 0.00 -0.04 0.05 0.00 -0.87 0.00 0.00 66.00 65.14 1k1c h PRO 18 Cb 0.30 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 31.24 1k1c h PRO 18 CO 0.00 0.41 0.39 0.00 -0.23 0.00 0.00 178.00 178.57 1k1c h ALA 19 N 1.28 0.90 -0.82 -0.56 0.00 -1.83 0.27 119.26 118.50 1k1c h ALA 19 Ca 0.24 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1k1c h ALA 19 Cb 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1k1c h ALA 19 CO -0.13 0.09 0.36 0.00 0.00 0.00 0.00 179.25 179.56 1k1c h ALA 20 N 1.34 1.09 -0.54 0.00 0.00 -1.34 0.14 119.26 119.95 1k1c h ALA 20 Ca 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1k1c h ALA 20 Cb 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1k1c h ALA 20 CO -0.16 0.66 0.25 1.25 0.00 0.00 0.00 179.25 181.25 1k1c h LEU 21 N 1.18 0.71 0.80 0.00 6.46 0.64 0.24 115.31 125.33 1k1c h LEU 21 Ca 0.28 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.87 1k1c h LEU 21 Cb 0.17 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1k1c h LEU 21 CO -0.03 0.65 -0.48 0.15 -0.62 0.00 0.00 178.44 178.11 1k1c h PHE 22 N 0.72 -1.28 -0.58 1.25 3.57 0.05 0.21 116.94 120.87 1k1c h PHE 22 Ca 0.18 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.78 1k1c h PHE 22 Cb 0.13 0.45 -0.08 0.00 2.79 0.00 0.00 35.95 39.24 1k1c h PHE 22 CO -0.00 -0.72 0.11 0.28 -2.23 0.00 0.00 178.31 175.74 1k1c h VAL 23 N -1.19 0.64 -0.30 1.41 2.07 -0.65 0.18 116.25 118.42 1k1c h VAL 23 Ca -0.11 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1k1c h VAL 23 Cb 0.95 0.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 1k1c h VAL 23 CO 0.11 0.04 -0.51 -0.61 0.02 0.00 0.00 177.57 176.63 1k1c h GLN 24 N 0.24 -0.43 -0.05 1.57 -0.00 -0.24 0.18 115.11 116.37 1k1c h GLN 24 Ca 0.30 0.03 -0.25 0.00 -0.00 0.00 0.00 58.65 58.73 1k1c h GLN 24 Cb 0.44 0.10 0.02 0.00 0.00 0.00 0.00 27.48 28.04 1k1c h GLN 24 CO -0.40 -0.29 -0.96 1.05 0.00 0.00 0.00 178.83 178.23 1k1c h GLU 25 N -0.45 0.73 -0.71 1.69 4.11 -0.12 0.35 114.58 120.19 1k1c h GLU 25 Ca 0.08 -0.73 0.15 0.00 0.07 0.00 0.00 59.36 58.93 1k1c h GLU 25 Cb 0.63 0.19 -0.10 0.00 0.50 0.00 0.00 28.75 29.96 1k1c h GLU 25 CO -0.52 1.31 0.17 0.00 0.07 0.00 0.00 179.01 180.03 1k1c h ALA 26 N 0.44 0.90 -0.62 1.06 0.00 -0.56 0.10 119.26 120.58 1k1c h ALA 26 Ca -0.11 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1k1c h ALA 26 Cb 1.61 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1k1c h ALA 26 CO 0.19 -0.32 0.07 -0.91 0.00 0.00 0.00 179.25 178.28 1k1c h ASN 27 N 0.28 1.01 -0.45 0.00 2.35 -0.41 -3.13 115.58 115.22 1k1c h ASN 27 Ca 0.39 -0.27 0.09 0.00 -0.55 0.00 0.00 56.30 55.96 1k1c h ASN 27 Cb 0.65 -0.27 -0.08 0.00 0.05 0.00 0.00 38.32 38.66 1k1c h ASN 27 CO -0.48 1.03 -0.08 0.03 -1.65 0.00 0.00 177.43 176.29 1k1c h ARG 28 N 0.96 0.03 -6.71 0.81 3.08 0.22 -3.39 114.38 109.38 1k1c h ARG 28 Ca 0.19 -0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.71 1k1c h ARG 28 Cb 0.47 -0.01 0.05 0.00 0.08 0.00 0.00 29.97 30.56 1k1c h ARG 28 CO 0.02 0.02 0.73 -0.06 -1.07 0.00 0.00 179.97 179.61 1k1c s PHE 29 N -6.20 3.11 -0.20 3.04 0.08 -0.46 -4.88 117.98 112.47 1k1c s PHE 29 Ca -0.14 1.06 -0.06 0.00 0.12 0.00 0.00 56.93 57.91 1k1c s PHE 29 Cb 0.15 -3.75 -0.22 0.00 -0.57 0.00 0.00 43.02 38.63 1k1c s PHE 29 CO 0.72 -2.45 3.21 2.41 -0.10 0.00 0.00 175.22 179.00 1k1c n THR 30 N 2.60 2.82 -4.75 0.64 -1.04 -1.26 -4.83 114.28 108.46 1k1c n THR 30 Ca 0.07 -1.46 -0.26 0.00 -2.04 0.00 0.00 64.05 60.36 1k1c n THR 30 Cb 0.41 -2.02 -0.15 0.00 -1.82 0.00 0.00 70.33 66.75 1k1c n THR 30 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1k1c s SER 31 N 2.16 2.39 -0.95 8.00 0.01 -1.26 0.15 113.70 124.20 1k1c s SER 31 Ca 0.60 -0.46 -0.24 0.00 1.31 0.00 0.00 55.95 57.16 1k1c s SER 31 Cb 0.27 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 1k1c s SER 31 CO -0.01 0.19 1.88 -0.62 0.41 0.00 0.00 173.24 175.08 1k1c s ASP 32 N -0.92 5.34 0.29 2.44 2.15 0.12 -4.57 116.67 121.52 1k1c s ASP 32 Ca 0.07 -0.88 -0.25 0.00 0.43 0.00 0.00 52.55 51.92 1k1c s ASP 32 Cb -0.08 -2.56 -0.09 0.00 -0.30 0.00 0.00 42.92 39.88 1k1c s ASP 32 CO 0.01 -2.58 0.89 -0.69 -0.17 0.00 0.00 175.17 172.63 1k1c s VAL 33 N 9.38 4.28 0.14 1.11 1.01 -1.26 -0.54 120.40 134.51 1k1c s VAL 33 Ca 0.66 1.74 0.02 0.00 0.00 0.00 0.00 61.98 64.40 1k1c s VAL 33 Cb -0.05 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1k1c s VAL 33 CO -0.01 0.20 -0.03 -0.36 0.00 0.00 0.00 175.10 174.90 1k1c s PHE 34 N -1.54 1.05 -0.26 5.22 0.08 0.55 0.18 117.98 123.27 1k1c s PHE 34 Ca 0.47 -0.98 -0.02 0.00 0.12 0.00 0.00 56.93 56.52 1k1c s PHE 34 Cb -0.19 -0.60 0.12 0.00 -0.57 0.00 0.00 43.02 41.78 1k1c s PHE 34 CO 0.24 -0.19 0.25 -0.51 -0.10 0.00 0.00 175.22 174.91 1k1c s LEU 35 N -3.11 -0.12 -1.05 -0.37 1.43 0.11 -0.21 118.68 115.35 1k1c s LEU 35 Ca 0.18 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 1k1c s LEU 35 Cb 0.06 0.39 0.21 0.00 0.03 0.00 0.00 46.19 46.87 1k1c s LEU 35 CO -0.00 -0.37 1.15 -1.61 0.23 0.00 0.00 176.35 175.75 1k1c s GLU 36 N 2.33 3.94 -0.59 1.70 2.02 0.91 0.03 118.70 129.03 1k1c s GLU 36 Ca 0.09 -2.60 -0.26 0.00 0.02 0.00 0.00 54.97 52.22 1k1c s GLU 36 Cb -0.15 -4.76 -0.04 0.00 0.10 0.00 0.00 34.13 29.28 1k1c s GLU 36 CO -0.26 -1.52 2.07 0.21 0.02 0.00 0.00 175.26 175.79 1k1c s LYS 37 N 0.66 2.41 -1.65 1.61 2.20 0.36 -0.37 119.74 124.95 1k1c s LYS 37 Ca 0.32 0.84 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 1k1c s LYS 37 Cb -0.07 -4.50 0.00 0.00 -1.51 0.00 0.00 37.83 31.76 1k1c s LYS 37 CO -0.06 -3.00 0.00 -0.25 -0.36 0.00 0.00 175.35 171.68 1k1c n ASP 38 N 14.08 -5.45 0.00 1.43 8.00 0.03 -0.65 116.55 134.00 1k1c n ASP 38 Ca 0.28 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1k1c n ASP 38 Cb 0.53 -4.57 0.00 0.00 -0.02 0.00 0.00 41.12 37.06 1k1c n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k1c n GLY 39 N -0.93 2.65 2.94 0.44 0.00 -0.26 -4.99 105.19 105.04 1k1c n GLY 39 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1k1c n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k1c n LYS 40 N -1.38 2.60 -2.68 1.61 5.02 0.18 -4.80 118.16 118.70 1k1c n LYS 40 Ca 0.00 -2.55 -0.41 0.00 -2.02 0.00 0.00 58.31 53.33 1k1c n LYS 40 Cb 0.00 -3.27 -0.04 0.00 -0.02 0.00 0.00 35.03 31.70 1k1c n LYS 40 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1k1c s LYS 41 N 3.79 4.66 0.33 1.97 2.20 -1.23 -0.49 119.74 130.98 1k1c s LYS 41 Ca 0.51 1.50 0.03 0.00 -0.36 0.00 0.00 55.97 57.65 1k1c s LYS 41 Cb 0.12 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.03 1k1c s LYS 41 CO -0.02 0.15 0.10 0.54 -0.36 0.00 0.00 175.35 175.77 1k1c s VAL 42 N 0.09 0.75 -0.67 4.02 0.11 0.10 -4.81 120.40 119.99 1k1c s VAL 42 Ca 0.48 -2.00 -0.27 0.00 -2.93 0.00 0.00 61.98 57.26 1k1c s VAL 42 Cb -0.24 -2.59 -0.00 0.00 -1.53 0.00 0.00 36.38 32.02 1k1c s VAL 42 CO 0.30 0.00 1.63 0.21 -3.33 0.00 0.00 175.10 173.92 1k1c s ASN 43 N -3.46 5.62 0.29 3.54 3.84 -1.26 0.05 114.94 123.56 1k1c s ASN 43 Ca 0.33 0.02 0.04 0.00 0.21 0.00 0.00 52.86 53.46 1k1c s ASN 43 Cb 0.06 -2.54 0.75 0.00 -0.55 0.00 0.00 41.25 38.97 1k1c s ASN 43 CO 0.15 -2.17 1.69 0.00 -2.79 0.00 0.00 177.10 173.98 1k1c h ALA 44 N 12.99 1.45 -0.00 1.71 0.00 -0.45 0.22 119.26 135.18 1k1c h ALA 44 Ca -0.26 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1k1c h ALA 44 Cb 1.12 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1k1c h ALA 44 CO 1.24 -0.36 -0.13 0.36 0.00 0.00 0.00 179.25 180.36 1k1c n LYS 45 N -5.06 0.05 -3.25 0.00 2.85 -1.26 -3.56 118.16 107.93 1k1c n LYS 45 Ca 0.23 -0.01 -0.18 0.00 -1.05 0.00 0.00 58.31 57.29 1k1c n LYS 45 Cb 0.67 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.55 1k1c n LYS 45 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1k1c s SER 46 N -2.96 5.63 0.09 -5.58 0.01 0.03 -4.85 113.70 106.07 1k1c s SER 46 Ca 0.15 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 56.81 1k1c s SER 46 Cb 0.19 -0.81 -0.04 0.00 0.21 0.00 0.00 66.02 65.56 1k1c s SER 46 CO 0.57 -0.64 0.95 0.00 0.41 0.00 0.00 173.24 174.53 1k1c n ILE 47 N -1.73 -0.40 0.18 1.44 0.00 -1.26 -0.07 119.36 117.53 1k1c n ILE 47 Ca 0.05 1.49 0.02 0.00 0.00 0.00 0.00 62.75 64.32 1k1c n ILE 47 Cb 0.59 -1.85 0.34 0.00 0.00 0.00 0.00 39.64 38.72 1k1c n ILE 47 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1k1c h MET 48 N 0.00 0.00 0.57 9.51 4.05 -1.95 0.36 114.93 127.47 1k1c h MET 48 Ca 0.09 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.49 1k1c h MET 48 Cb 0.24 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1k1c h MET 48 CO -0.55 0.40 -0.27 0.78 0.23 0.00 0.00 176.91 177.50 1k1c h GLY 49 N 1.29 -0.80 0.00 1.39 0.00 -0.04 -0.17 103.07 104.73 1k1c h GLY 49 Ca -0.00 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1k1c h GLY 49 CO 0.05 -0.29 0.00 1.04 0.00 0.00 0.00 176.54 177.34 1k1c n LEU 50 N -5.37 0.00 -0.25 3.11 4.77 -0.22 -0.40 117.00 118.64 1k1c n LEU 50 Ca -0.12 0.64 0.05 0.00 -0.03 0.00 0.00 56.01 56.55 1k1c n LEU 50 Cb 0.33 -0.14 0.18 0.00 -2.33 0.00 0.00 43.42 41.47 1k1c n LEU 50 CO 0.35 -0.14 0.99 0.24 -1.33 0.00 0.00 177.39 177.49 1k1c h MET 51 N 0.00 0.37 0.00 3.23 2.86 -0.40 0.55 114.93 121.54 1k1c h MET 51 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1k1c h MET 51 Cb 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1k1c h MET 51 CO 0.00 0.24 0.00 0.43 1.06 0.00 0.00 176.91 178.64 1k1c n SER 52 N -5.05 0.00 -0.07 1.22 7.64 -0.09 -4.23 113.62 113.04 1k1c n SER 52 Ca 0.14 0.18 -0.14 0.00 1.01 0.00 0.00 58.87 60.06 1k1c n SER 52 Cb 0.43 -0.22 -0.13 0.00 -1.01 0.00 0.00 64.21 63.28 1k1c n SER 52 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1k1c h LEU 53 N 0.00 -0.00 -1.06 -3.43 -0.00 -1.46 -3.32 115.31 106.04 1k1c h LEU 53 Ca 0.00 -0.98 0.05 0.00 -0.00 0.00 0.00 57.88 56.95 1k1c h LEU 53 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.60 1k1c h LEU 53 CO 0.00 0.98 0.63 0.00 -0.00 0.00 0.00 178.44 180.05 1k1c h ALA 54 N 0.00 1.41 0.00 1.53 0.00 -0.57 -3.12 119.26 118.51 1k1c h ALA 54 Ca -0.00 -0.04 -0.63 0.00 0.00 0.00 0.00 54.91 54.25 1k1c h ALA 54 Cb 0.98 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1k1c h ALA 54 CO 0.00 0.48 3.20 0.28 0.00 0.00 0.00 179.25 183.21 1k1c n VAL 55 N -4.46 3.37 -2.81 0.00 0.31 0.19 -1.76 118.33 113.17 1k1c n VAL 55 Ca 0.14 -2.37 -0.10 0.00 -0.01 0.00 0.00 64.34 62.00 1k1c n VAL 55 Cb 0.14 -2.49 0.06 0.00 -0.91 0.00 0.00 33.84 30.64 1k1c n VAL 55 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1k1c n SER 56 N 4.99 -2.10 -4.57 4.52 7.64 -1.18 -4.85 113.62 118.08 1k1c n SER 56 Ca 0.60 -3.45 -0.58 0.00 1.01 0.00 0.00 58.87 56.45 1k1c n SER 56 Cb 0.28 1.52 -0.08 0.00 -1.01 0.00 0.00 64.21 64.92 1k1c n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1k1c n THR 57 N 0.85 0.02 -0.22 0.44 -1.04 -1.24 -0.56 114.28 112.54 1k1c n THR 57 Ca 0.10 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1k1c n THR 57 Cb 0.66 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 1k1c n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k1c n GLY 58 N 2.24 1.57 3.74 3.41 0.00 0.56 -4.85 105.19 111.84 1k1c n GLY 58 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1k1c n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1c s THR 59 N -2.86 4.59 -0.94 2.61 2.01 0.28 -4.47 115.64 116.86 1k1c s THR 59 Ca 0.00 1.88 -0.24 0.00 0.31 0.00 0.00 61.69 63.64 1k1c s THR 59 Cb 0.00 -4.23 0.05 0.00 0.01 0.00 0.00 72.50 68.33 1k1c s THR 59 CO 0.00 0.34 1.38 -1.83 -0.69 0.00 0.00 174.62 173.83 1k1c s GLU 60 N -0.07 3.48 -0.07 4.92 -1.05 -1.24 -0.44 118.70 124.23 1k1c s GLU 60 Ca 0.43 -0.91 0.03 0.00 -0.15 0.00 0.00 54.97 54.36 1k1c s GLU 60 Cb -0.22 -5.01 -0.02 0.00 -0.44 0.00 0.00 34.13 28.44 1k1c s GLU 60 CO 0.27 -2.17 -0.14 0.14 0.95 0.00 0.00 175.26 174.31 1k1c s VAL 61 N 5.06 3.05 -0.25 1.83 -7.23 0.14 -0.79 120.40 122.21 1k1c s VAL 61 Ca 0.42 -0.71 -0.26 0.00 -1.81 0.00 0.00 61.98 59.62 1k1c s VAL 61 Cb -0.03 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.70 1k1c s VAL 61 CO -0.03 0.57 0.90 -0.89 -0.31 0.00 0.00 175.10 175.34 1k1c s THR 62 N -0.45 4.76 -0.28 5.32 2.01 0.50 -0.65 115.64 126.85 1k1c s THR 62 Ca 0.06 1.65 -0.17 0.00 0.31 0.00 0.00 61.69 63.53 1k1c s THR 62 Cb -0.12 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 1k1c s THR 62 CO 0.02 -0.16 0.47 -0.22 -0.69 0.00 0.00 174.62 174.04 1k1c s LEU 63 N 3.01 4.09 0.24 4.42 0.20 0.77 -0.07 118.68 131.35 1k1c s LEU 63 Ca 0.38 0.37 0.08 0.00 0.69 0.00 0.00 54.13 55.65 1k1c s LEU 63 Cb -0.15 -2.58 -0.04 0.00 -0.43 0.00 0.00 46.19 43.00 1k1c s LEU 63 CO 0.08 -0.28 0.06 -0.63 -0.29 0.00 0.00 176.35 175.29 1k1c s ILE 64 N 2.25 3.82 -0.13 6.68 1.01 0.71 -0.48 121.20 135.04 1k1c s ILE 64 Ca 0.19 -1.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.15 1k1c s ILE 64 Cb -0.16 -3.02 0.06 0.00 0.01 0.00 0.00 42.46 39.36 1k1c s ILE 64 CO 0.10 -0.31 0.20 0.00 0.00 0.00 0.00 174.94 174.93 1k1c s ALA 65 N -2.14 -0.26 -0.62 9.38 0.00 0.25 -0.33 121.76 128.05 1k1c s ALA 65 Ca 0.31 0.53 0.06 0.00 0.00 0.00 0.00 51.96 52.86 1k1c s ALA 65 Cb -0.07 -1.01 0.27 0.00 0.00 0.00 0.00 23.12 22.31 1k1c s ALA 65 CO 0.21 -0.78 0.80 0.94 0.00 0.00 0.00 175.76 176.92 1k1c n GLN 66 N 5.33 2.68 -0.74 0.00 7.27 0.30 -2.65 117.38 129.57 1k1c n GLN 66 Ca -0.05 -4.70 0.00 0.00 0.07 0.00 0.00 57.00 52.32 1k1c n GLN 66 Cb 0.50 -2.24 0.00 0.00 2.41 0.00 0.00 30.24 30.91 1k1c n GLN 66 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k1c n GLY 67 N 0.58 3.77 0.33 1.69 0.00 -1.26 -0.71 105.19 109.60 1k1c n GLY 67 Ca 0.30 -1.26 0.10 0.00 0.00 0.00 0.00 46.02 45.16 1k1c n GLY 67 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1k1c h GLU 68 N 0.00 0.69 -2.09 1.61 5.08 -0.66 0.42 114.58 119.64 1k1c h GLU 68 Ca 0.00 -0.04 -0.67 0.00 -1.00 0.00 0.00 59.36 57.65 1k1c h GLU 68 Cb 0.00 -0.16 -0.36 0.00 0.50 0.00 0.00 28.75 28.73 1k1c h GLU 68 CO 0.00 0.46 0.02 -0.25 -1.00 0.00 0.00 179.01 178.24 1k1c n ASP 69 N -4.81 5.71 0.00 1.42 8.00 -1.26 -4.91 116.55 120.70 1k1c n ASP 69 Ca 0.20 -3.72 0.00 0.00 0.71 0.00 0.00 54.79 51.98 1k1c n ASP 69 Cb 0.49 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 1k1c n ASP 69 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1k1c n GLU 70 N -0.28 0.00 -0.29 -1.24 0.28 0.14 -0.12 120.64 119.13 1k1c n GLU 70 Ca 0.40 0.05 0.10 0.00 -0.16 0.00 0.00 57.16 57.55 1k1c n GLU 70 Cb 0.39 -0.77 0.23 0.00 1.43 0.00 0.00 31.44 32.72 1k1c n GLU 70 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1k1c h GLN 71 N 0.00 0.10 -0.17 3.44 1.08 -1.77 0.68 115.11 118.48 1k1c h GLN 71 Ca 0.00 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1k1c h GLN 71 Cb 0.00 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1k1c h GLN 71 CO 0.00 0.07 0.10 1.49 -0.95 0.00 0.00 178.83 179.54 1k1c h GLU 72 N 0.11 0.23 0.87 1.46 4.81 -1.93 0.01 114.58 120.15 1k1c h GLU 72 Ca 0.51 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.67 1k1c h GLU 72 Cb 0.98 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.32 1k1c h GLU 72 CO -0.74 0.20 -0.42 0.00 -0.73 0.00 0.00 179.01 177.32 1k1c h ALA 73 N 1.02 -1.17 -0.97 2.92 0.00 0.14 -0.90 119.26 120.29 1k1c h ALA 73 Ca 0.06 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.84 1k1c h ALA 73 Cb 0.03 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1k1c h ALA 73 CO -0.01 -1.13 0.59 1.37 0.00 0.00 0.00 179.25 180.08 1k1c h LEU 74 N -1.24 0.84 0.50 0.00 8.10 -0.92 0.89 115.31 123.48 1k1c h LEU 74 Ca -0.12 0.06 -0.02 0.00 0.11 0.00 0.00 57.88 57.91 1k1c h LEU 74 Cb 0.91 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 41.03 1k1c h LEU 74 CO 0.20 0.42 -0.24 -0.33 -4.11 0.00 0.00 178.44 174.37 1k1c h GLU 75 N 0.90 -0.65 -0.47 0.17 4.39 -0.86 0.58 114.58 118.63 1k1c h GLU 75 Ca 0.50 0.04 0.08 0.00 0.34 0.00 0.00 59.36 60.32 1k1c h GLU 75 Cb 0.57 0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 29.27 1k1c h GLU 75 CO -0.29 -0.43 -0.44 0.87 -1.16 0.00 0.00 179.01 177.56 1k1c h LYS 76 N -0.69 -0.28 0.57 2.33 1.79 0.32 0.72 116.57 121.33 1k1c h LYS 76 Ca -0.07 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1k1c h LYS 76 Cb 0.52 0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1k1c h LYS 76 CO 0.11 -0.19 -0.27 -0.07 -1.08 0.00 0.00 179.45 177.95 1k1c h LEU 77 N -0.29 -0.65 -2.03 2.94 -0.00 -0.81 0.16 115.31 114.62 1k1c h LEU 77 Ca 0.15 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.01 1k1c h LEU 77 Cb 0.58 0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1k1c h LEU 77 CO -0.62 -0.25 -0.06 0.00 -0.00 0.00 0.00 178.44 177.50 1k1c h ALA 78 N -1.10 1.68 0.54 1.53 0.00 -0.89 0.68 119.26 121.70 1k1c h ALA 78 Ca -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1k1c h ALA 78 Cb 0.62 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1k1c h ALA 78 CO 0.13 0.08 -0.26 0.00 0.00 0.00 0.00 179.25 179.20 1k1c h ALA 79 N 1.94 -0.73 0.44 0.00 0.00 -0.78 -3.34 119.26 116.79 1k1c h ALA 79 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1k1c h ALA 79 Cb 0.13 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1k1c h ALA 79 CO 0.01 -0.81 -0.42 -0.92 0.00 0.00 0.00 179.25 177.11 1k1c h TYR 80 N -0.92 -1.15 -1.15 0.00 3.20 0.48 -3.11 116.97 114.32 1k1c h TYR 80 Ca -0.07 0.01 0.43 0.00 3.14 0.00 0.00 58.73 62.24 1k1c h TYR 80 Cb 0.62 0.44 -0.15 0.00 1.54 0.00 0.00 36.73 39.18 1k1c h TYR 80 CO -0.00 -0.56 0.69 1.33 -1.64 0.00 0.00 178.16 177.98 1k1c n VAL 81 N -4.94 -0.33 -1.04 1.81 0.24 0.12 -1.02 118.33 113.17 1k1c n VAL 81 Ca -0.10 1.86 0.09 0.00 -2.04 0.00 0.00 64.34 64.15 1k1c n VAL 81 Cb 0.38 -3.03 0.20 0.00 -1.47 0.00 0.00 33.84 29.93 1k1c n VAL 81 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k1c n GLN 82 N -4.92 2.10 0.00 7.34 10.64 -1.19 -0.31 117.38 131.04 1k1c n GLN 82 Ca 0.38 -2.72 -0.04 0.00 -1.83 0.00 0.00 57.00 52.79 1k1c n GLN 82 Cb 1.38 -1.68 -0.01 0.00 -0.86 0.00 0.00 30.24 29.08 1k1c n GLN 82 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 1k1c n GLU 83 N -0.97 0.14 -2.38 2.61 0.28 -0.19 -4.72 120.64 115.41 1k1c n GLU 83 Ca 0.19 0.06 -0.42 0.00 -0.16 0.00 0.00 57.16 56.83 1k1c n GLU 83 Cb 0.77 -0.74 0.00 0.00 1.43 0.00 0.00 31.44 32.90 1k1c n GLU 83 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1k1c n GLU 84 N -3.65 4.01 0.00 3.44 0.28 -1.25 -5.08 120.64 118.39 1k1c n GLU 84 Ca -0.06 -3.71 0.00 0.00 -0.16 0.00 0.00 57.16 53.22 1k1c n GLU 84 Cb 0.24 -2.79 0.00 0.00 1.43 0.00 0.00 31.44 30.33 1k1c n GLU 84 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30