#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 3.00 0.18 7.34 0.74 -1.25 -1.63 119.66 128.03 1k1c s GLN 3 Ca 0.00 -0.80 -0.08 0.00 0.05 0.00 0.00 55.36 54.53 1k1c s GLN 3 Cb 0.00 -2.39 -0.01 0.00 1.10 0.00 0.00 33.01 31.71 1k1c s GLN 3 CO 0.00 0.28 0.27 -1.14 -0.55 0.00 0.00 175.29 174.15 1k1c s GLN 4 N 0.12 1.19 0.06 1.67 -0.44 -0.37 -4.95 119.66 116.95 1k1c s GLN 4 Ca -0.10 -1.25 -0.12 0.00 -2.50 0.00 0.00 55.36 51.39 1k1c s GLN 4 Cb -0.16 0.37 0.01 0.00 -1.64 0.00 0.00 33.01 31.60 1k1c s GLN 4 CO 0.06 -0.43 0.28 -1.59 0.50 0.00 0.00 175.29 174.10 1k1c s LYS 5 N -4.00 0.83 -0.09 1.67 0.00 -1.25 -0.09 119.74 116.80 1k1c s LYS 5 Ca 0.21 -0.64 -0.02 0.00 0.00 0.00 0.00 55.97 55.52 1k1c s LYS 5 Cb 0.04 0.35 0.03 0.00 0.00 0.00 0.00 37.83 38.25 1k1c s LYS 5 CO 0.03 -0.27 0.00 0.14 0.00 0.00 0.00 175.35 175.25 1k1c s VAL 6 N -2.95 0.44 0.39 1.79 -7.23 0.47 -4.86 120.40 108.45 1k1c s VAL 6 Ca -0.02 -0.01 -0.14 0.00 -1.81 0.00 0.00 61.98 60.00 1k1c s VAL 6 Cb 0.01 -0.64 -0.08 0.00 0.56 0.00 0.00 36.38 36.22 1k1c s VAL 6 CO -0.06 0.20 0.80 -0.70 -0.31 0.00 0.00 175.10 175.03 1k1c s GLU 7 N 1.94 3.93 0.36 4.82 2.12 -1.26 -0.27 118.70 130.34 1k1c s GLU 7 Ca 0.04 0.68 -0.14 0.00 0.36 0.00 0.00 54.97 55.90 1k1c s GLU 7 Cb -0.13 -2.35 0.04 0.00 0.26 0.00 0.00 34.13 31.95 1k1c s GLU 7 CO -0.06 0.01 0.73 0.14 -0.54 0.00 0.00 175.26 175.54 1k1c s VAL 8 N -2.23 0.00 -0.14 3.70 -7.23 -0.21 -4.90 120.40 109.39 1k1c s VAL 8 Ca 0.54 -1.10 -0.21 0.00 -1.81 0.00 0.00 61.98 59.40 1k1c s VAL 8 Cb -0.10 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 1k1c s VAL 8 CO 0.24 0.00 0.64 -0.60 -0.31 0.00 0.00 175.10 175.07 1k1c s ARG 9 N -2.65 4.32 -0.50 4.82 3.00 -1.26 0.27 118.95 126.95 1k1c s ARG 9 Ca 0.17 0.70 -0.18 0.00 -1.00 0.00 0.00 55.73 55.42 1k1c s ARG 9 Cb -0.04 -3.51 -0.18 0.00 0.00 0.00 0.00 34.95 31.22 1k1c s ARG 9 CO 0.12 -0.07 1.75 -0.11 0.00 0.00 0.00 175.30 177.00 1k1c n LEU 10 N 4.37 2.91 0.19 -0.88 7.94 0.61 -2.98 117.00 129.16 1k1c n LEU 10 Ca -0.02 -2.28 0.05 0.00 -1.11 0.00 0.00 56.01 52.65 1k1c n LEU 10 Cb 0.51 -0.87 0.32 0.00 0.53 0.00 0.00 43.42 43.91 1k1c n LEU 10 CO 0.45 -0.72 0.67 0.50 -1.11 0.00 0.00 177.39 177.18 1k1c h LYS 11 N 8.16 0.00 -0.60 1.96 3.11 -0.41 0.28 116.57 129.08 1k1c h LYS 11 Ca 0.34 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.18 1k1c h LYS 11 Cb 0.50 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.70 1k1c h LYS 11 CO 1.77 0.38 0.39 1.79 -2.81 0.00 0.00 179.45 180.97 1k1c h THR 12 N 0.00 1.16 -2.66 1.00 1.35 -0.78 -3.44 112.91 109.53 1k1c h THR 12 Ca -0.00 -0.30 -0.24 0.00 -0.55 0.00 0.00 66.41 65.32 1k1c h THR 12 Cb 0.92 0.29 -0.05 0.00 -1.73 0.00 0.00 68.15 67.57 1k1c h THR 12 CO 0.05 0.15 -0.26 0.61 -0.25 0.00 0.00 175.52 175.82 1k1c n GLY 13 N -1.24 0.31 4.01 5.82 0.00 -0.57 -3.85 105.19 109.66 1k1c n GLY 13 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.28 -0.15 0.04 0.99 4.77 -0.46 -3.66 117.00 116.24 1k1c n LEU 14 Ca -0.13 -1.03 -0.16 0.00 -0.03 0.00 0.00 56.01 54.66 1k1c n LEU 14 Cb 0.50 -1.23 -0.14 0.00 -2.33 0.00 0.00 43.42 40.21 1k1c n LEU 14 CO 0.17 0.62 -0.45 1.56 -1.33 0.00 0.00 177.39 177.96 1k1c h GLN 15 N -1.39 0.21 0.00 3.23 4.20 -1.86 -3.37 115.11 116.13 1k1c h GLN 15 Ca -0.56 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 57.79 1k1c h GLN 15 Cb 1.10 0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1k1c h GLN 15 CO 0.42 1.04 0.00 0.00 -0.67 0.00 0.00 178.83 179.62 1k1c n ALA 16 N -2.71 0.00 -0.53 3.87 0.00 -1.26 -4.97 120.51 114.91 1k1c n ALA 16 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1k1c n ALA 16 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 -2.38 0.00 0.30 0.00 3.00 -1.26 -1.31 116.66 115.01 1k1c n ARG 17 Ca 0.00 0.24 0.19 0.00 -0.01 0.00 0.00 57.85 58.26 1k1c n ARG 17 Cb 0.00 -1.05 0.85 0.00 0.00 0.00 0.00 32.46 32.26 1k1c n ARG 17 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1k1c h PRO 18 N 0.00 0.00 0.41 5.56 0.13 -1.96 0.16 132.00 136.30 1k1c h PRO 18 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1k1c h PRO 18 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1k1c h PRO 18 CO 0.00 0.00 -0.35 0.00 -0.23 0.00 0.00 178.00 177.42 1k1c h ALA 19 N 2.00 -1.07 -0.06 -0.56 0.00 -1.84 0.32 119.26 118.04 1k1c h ALA 19 Ca -0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1k1c h ALA 19 Cb 0.36 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1k1c h ALA 19 CO 0.00 -1.08 -0.63 0.00 0.00 0.00 0.00 179.25 177.55 1k1c h ALA 20 N -1.23 0.82 -0.39 0.00 0.00 -1.03 -1.83 119.26 115.61 1k1c h ALA 20 Ca -0.05 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.33 1k1c h ALA 20 Cb 0.63 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1k1c h ALA 20 CO -0.01 0.74 0.20 1.25 0.00 0.00 0.00 179.25 181.43 1k1c h LEU 21 N 0.17 0.29 -0.15 0.00 6.46 -0.64 0.34 115.31 121.78 1k1c h LEU 21 Ca -0.01 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1k1c h LEU 21 Cb 1.14 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.99 1k1c h LEU 21 CO 0.10 0.21 -0.27 0.15 -0.62 0.00 0.00 178.44 178.01 1k1c h PHE 22 N 0.40 -0.81 -0.99 1.25 3.57 -0.17 0.44 116.94 120.63 1k1c h PHE 22 Ca 0.16 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.86 1k1c h PHE 22 Cb 0.06 0.37 -0.10 0.00 2.79 0.00 0.00 35.95 39.08 1k1c h PHE 22 CO -0.10 -0.25 0.61 -0.39 -2.23 0.00 0.00 178.31 175.95 1k1c h VAL 23 N -0.23 0.78 -0.03 1.41 -1.51 -0.83 -0.48 116.25 115.36 1k1c h VAL 23 Ca 0.03 -0.29 -0.13 0.00 -1.23 0.00 0.00 66.70 65.08 1k1c h VAL 23 Cb 0.30 -0.13 -0.02 0.00 -2.13 0.00 0.00 31.29 29.32 1k1c h VAL 23 CO -0.26 0.15 -0.56 -0.61 -1.23 0.00 0.00 177.57 175.06 1k1c h GLN 24 N 0.84 0.10 -0.06 5.19 -0.00 0.41 0.31 115.11 121.90 1k1c h GLN 24 Ca 0.54 -0.06 -0.06 0.00 -0.00 0.00 0.00 58.65 59.07 1k1c h GLN 24 Cb 0.74 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.23 1k1c h GLN 24 CO -0.34 0.63 -0.20 0.93 0.00 0.00 0.00 178.83 179.85 1k1c h GLU 25 N 0.07 0.24 -0.07 1.69 4.39 0.14 0.39 114.58 121.44 1k1c h GLU 25 Ca -0.00 -0.18 0.04 0.00 0.34 0.00 0.00 59.36 59.55 1k1c h GLU 25 Cb 1.01 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.65 1k1c h GLU 25 CO 0.08 0.81 -0.24 0.00 -1.16 0.00 0.00 179.01 178.50 1k1c h ALA 26 N 0.43 -0.27 -0.51 3.43 0.00 -1.20 -2.58 119.26 118.56 1k1c h ALA 26 Ca -0.01 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1k1c h ALA 26 Cb 0.84 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 1k1c h ALA 26 CO 0.04 -0.72 -0.22 -0.91 0.00 0.00 0.00 179.25 177.44 1k1c h ASN 27 N -0.34 -0.77 0.00 0.00 2.35 -0.33 -1.81 115.58 114.68 1k1c h ASN 27 Ca 0.08 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1k1c h ASN 27 Cb 0.46 0.42 0.00 0.00 0.05 0.00 0.00 38.32 39.25 1k1c h ASN 27 CO -0.26 -0.25 0.36 -0.09 -1.65 0.00 0.00 177.43 175.54 1k1c h ARG 28 N -0.10 0.00 0.00 0.81 1.12 0.20 -3.23 114.38 113.17 1k1c h ARG 28 Ca 0.24 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.11 1k1c h ARG 28 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.43 1k1c h ARG 28 CO -0.58 0.00 0.00 1.19 -3.11 0.00 0.00 179.97 177.47 1k1c n PHE 29 N -2.74 0.00 0.13 2.20 3.72 -0.68 -5.06 117.46 115.02 1k1c n PHE 29 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1k1c n PHE 29 Cb 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1k1c n PHE 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1k1c n THR 30 N 0.00 0.00 -0.19 4.37 -2.24 -1.22 -4.92 114.28 110.07 1k1c n THR 30 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1k1c n THR 30 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1k1c n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k1c n SER 31 N -3.03 -0.06 -4.56 3.42 7.64 -1.26 -4.78 113.62 110.99 1k1c n SER 31 Ca 0.00 0.15 -0.36 0.00 1.01 0.00 0.00 58.87 59.67 1k1c n SER 31 Cb 0.00 -0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.04 1k1c n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1k1c s ASP 32 N -0.05 6.04 0.40 6.43 2.15 -0.29 -4.60 116.67 126.75 1k1c s ASP 32 Ca 0.11 -1.24 -0.23 0.00 0.43 0.00 0.00 52.55 51.62 1k1c s ASP 32 Cb -0.15 -2.57 -0.10 0.00 -0.30 0.00 0.00 42.92 39.80 1k1c s ASP 32 CO 0.08 -1.93 1.00 -0.69 -0.17 0.00 0.00 175.17 173.45 1k1c s VAL 33 N 6.75 4.03 0.21 1.11 1.01 -1.26 -0.79 120.40 131.46 1k1c s VAL 33 Ca 0.55 1.45 0.04 0.00 0.00 0.00 0.00 61.98 64.02 1k1c s VAL 33 Cb -0.02 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1k1c s VAL 33 CO -0.06 -0.09 -0.03 -0.36 0.00 0.00 0.00 175.10 174.56 1k1c s PHE 34 N -1.84 1.47 -0.08 5.22 0.08 0.40 0.47 117.98 123.70 1k1c s PHE 34 Ca 0.59 -0.88 -0.03 0.00 0.12 0.00 0.00 56.93 56.72 1k1c s PHE 34 Cb -0.17 -0.83 0.04 0.00 -0.57 0.00 0.00 43.02 41.50 1k1c s PHE 34 CO 0.21 -0.01 0.17 -1.17 -0.10 0.00 0.00 175.22 174.32 1k1c s LEU 35 N -3.27 0.35 -0.24 -0.37 0.20 0.75 -0.09 118.68 116.00 1k1c s LEU 35 Ca 0.25 0.37 0.00 0.00 0.69 0.00 0.00 54.13 55.44 1k1c s LEU 35 Cb 0.05 0.42 0.07 0.00 -0.43 0.00 0.00 46.19 46.29 1k1c s LEU 35 CO 0.06 -0.19 -0.02 -1.61 -0.29 0.00 0.00 176.35 174.31 1k1c s GLU 36 N 1.63 1.36 -0.67 1.98 2.02 0.33 0.16 118.70 125.52 1k1c s GLU 36 Ca -0.05 -0.95 -0.26 0.00 0.02 0.00 0.00 54.97 53.74 1k1c s GLU 36 Cb -0.12 -2.48 -0.07 0.00 0.10 0.00 0.00 34.13 31.56 1k1c s GLU 36 CO -0.06 -0.66 2.20 0.15 0.02 0.00 0.00 175.26 176.91 1k1c s LYS 37 N 1.47 2.17 -1.19 1.61 1.02 0.46 -0.18 119.74 125.10 1k1c s LYS 37 Ca -0.03 0.68 -0.04 0.00 0.02 0.00 0.00 55.97 56.60 1k1c s LYS 37 Cb -0.18 -4.68 0.02 0.00 -0.52 0.00 0.00 37.83 32.47 1k1c s LYS 37 CO -0.08 -3.49 0.23 -0.25 -0.92 0.00 0.00 175.35 170.84 1k1c n ASP 38 N 15.59 -4.11 0.00 2.83 8.00 0.13 -0.65 116.55 138.34 1k1c n ASP 38 Ca 0.36 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1k1c n ASP 38 Cb 0.50 -3.44 0.00 0.00 -0.02 0.00 0.00 41.12 38.16 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 -1.01 1.57 3.35 0.44 0.00 -0.93 -5.02 105.19 103.59 1k1c n GLY 39 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.08 2.27 -2.96 1.61 5.02 0.18 -4.85 118.16 119.35 1k1c n LYS 40 Ca 0.00 -2.61 -0.32 0.00 -2.02 0.00 0.00 58.31 53.36 1k1c n LYS 40 Cb 0.00 -3.43 -0.05 0.00 -0.02 0.00 0.00 35.03 31.53 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 4.97 3.92 0.28 1.97 2.36 -1.25 -0.40 119.74 131.59 1k1c s LYS 41 Ca 0.58 0.64 -0.07 0.00 -2.55 0.00 0.00 55.97 54.57 1k1c s LYS 41 Cb 0.06 -2.38 -0.01 0.00 -1.05 0.00 0.00 37.83 34.45 1k1c s LYS 41 CO 0.08 0.04 0.42 0.54 1.55 0.00 0.00 175.35 177.98 1k1c s VAL 42 N -2.19 0.00 -0.95 4.02 0.11 0.12 -4.88 120.40 116.63 1k1c s VAL 42 Ca 0.54 -1.57 -0.24 0.00 -2.93 0.00 0.00 61.98 57.78 1k1c s VAL 42 Cb -0.10 -2.42 0.04 0.00 -1.53 0.00 0.00 36.38 32.37 1k1c s VAL 42 CO 0.23 0.00 1.46 0.21 -3.33 0.00 0.00 175.10 173.68 1k1c s ASN 43 N -3.12 6.30 0.29 3.54 3.84 -1.26 -0.18 114.94 124.35 1k1c s ASN 43 Ca 0.28 -1.15 0.04 0.00 0.21 0.00 0.00 52.86 52.24 1k1c s ASN 43 Cb 0.01 -2.57 0.71 0.00 -0.55 0.00 0.00 41.25 38.85 1k1c s ASN 43 CO 0.14 -1.69 1.72 0.00 -2.79 0.00 0.00 177.10 174.48 1k1c h ALA 44 N 10.07 1.46 0.00 1.71 0.00 -0.18 0.19 119.26 132.50 1k1c h ALA 44 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1k1c h ALA 44 Cb 1.02 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1k1c h ALA 44 CO 1.38 -0.27 0.00 0.36 0.00 0.00 0.00 179.25 180.72 1k1c n LYS 45 N -4.97 0.12 -3.74 0.00 2.85 -1.19 -3.54 118.16 107.68 1k1c n LYS 45 Ca 0.22 0.13 -0.20 0.00 -1.05 0.00 0.00 58.31 57.40 1k1c n LYS 45 Cb 0.61 -1.65 -0.02 0.00 -0.65 0.00 0.00 35.03 33.33 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 -3.73 5.92 0.17 -5.58 0.01 0.60 -4.76 113.70 106.34 1k1c s SER 46 Ca 0.12 -0.16 -0.29 0.00 1.31 0.00 0.00 55.95 56.93 1k1c s SER 46 Cb 0.15 -1.40 -0.02 0.00 0.21 0.00 0.00 66.02 64.97 1k1c s SER 46 CO 0.54 -0.27 1.54 -0.29 0.41 0.00 0.00 173.24 175.17 1k1c h ILE 47 N 1.10 0.00 0.00 1.44 -0.00 -1.89 0.14 117.51 118.30 1k1c h ILE 47 Ca -0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 64.86 64.32 1k1c h ILE 47 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 36.82 38.06 1k1c h ILE 47 CO 0.57 0.00 -0.29 -0.03 -0.00 0.00 0.00 178.15 178.40 1k1c h MET 48 N -0.02 0.00 -0.07 2.19 4.05 -1.96 0.36 114.93 119.49 1k1c h MET 48 Ca 0.19 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.58 1k1c h MET 48 Cb 0.45 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1k1c h MET 48 CO -0.93 0.29 -0.08 0.78 0.23 0.00 0.00 176.91 177.21 1k1c h GLY 49 N 2.76 0.18 0.00 1.39 0.00 -0.57 -1.84 103.07 105.00 1k1c h GLY 49 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1k1c h GLY 49 CO 0.04 0.17 0.00 -0.10 0.00 0.00 0.00 176.54 176.65 1k1c n LEU 50 N -4.70 0.17 -0.03 3.11 7.94 0.32 -0.10 117.00 123.71 1k1c n LEU 50 Ca -0.07 0.68 -0.08 0.00 -1.11 0.00 0.00 56.01 55.43 1k1c n LEU 50 Cb 0.31 -0.45 0.09 0.00 0.53 0.00 0.00 43.42 43.91 1k1c n LEU 50 CO 0.36 -0.45 0.61 -0.03 -1.11 0.00 0.00 177.39 176.78 1k1c h MET 51 N 0.00 0.64 0.00 1.96 4.05 -0.46 -0.68 114.93 120.44 1k1c h MET 51 Ca 0.00 -0.31 0.00 0.00 -0.28 0.00 0.00 59.70 59.11 1k1c h MET 51 Cb 0.00 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1k1c h MET 51 CO 0.00 0.91 0.00 0.43 0.23 0.00 0.00 176.91 178.48 1k1c n SER 52 N -4.05 0.00 -0.07 1.39 7.64 -0.85 -4.01 113.62 113.67 1k1c n SER 52 Ca -0.01 0.42 -0.12 0.00 1.01 0.00 0.00 58.87 60.16 1k1c n SER 52 Cb 0.50 -0.43 -0.10 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.49 -3.43 4.07 -1.36 -3.33 115.31 109.77 1k1c h LEU 53 Ca 0.00 -0.76 0.00 0.00 0.08 0.00 0.00 57.88 57.20 1k1c h LEU 53 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1k1c h LEU 53 CO 0.00 0.95 0.18 0.00 -1.08 0.00 0.00 178.44 178.49 1k1c h ALA 54 N -0.24 1.14 0.00 1.53 0.00 -0.29 -0.17 119.26 121.23 1k1c h ALA 54 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k1c h ALA 54 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1k1c h ALA 54 CO -0.02 -0.14 0.00 1.55 0.00 0.00 0.00 179.25 180.64 1k1c n VAL 55 N -2.38 0.14 -1.58 0.00 3.14 -0.28 -1.35 118.33 116.02 1k1c n VAL 55 Ca -0.01 0.04 -0.41 0.00 -2.96 0.00 0.00 64.34 60.99 1k1c n VAL 55 Cb 0.22 -0.69 -0.01 0.00 -1.06 0.00 0.00 33.84 32.29 1k1c n VAL 55 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1k1c n SER 56 N -1.11 6.25 -4.53 6.55 7.64 -0.08 -4.54 113.62 123.79 1k1c n SER 56 Ca 0.14 -2.74 -0.57 0.00 1.01 0.00 0.00 58.87 56.70 1k1c n SER 56 Cb 0.11 -1.60 -0.09 0.00 -1.01 0.00 0.00 64.21 61.63 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 4.23 0.17 0.00 0.44 -1.04 -1.22 -0.57 114.28 116.29 1k1c n THR 57 Ca 0.64 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 1k1c n THR 57 Cb 0.31 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 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 5.62 0.40 3.76 3.41 0.00 0.88 -4.93 105.19 114.33 1k1c n GLY 58 Ca 0.38 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 4.95 -0.39 2.61 2.01 0.27 -4.67 115.64 118.43 1k1c s THR 59 Ca 0.00 1.19 -0.28 0.00 0.31 0.00 0.00 61.69 62.90 1k1c s THR 59 Cb 0.00 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 1k1c s THR 59 CO 0.00 0.42 1.67 -1.61 -0.69 0.00 0.00 174.62 174.41 1k1c s GLU 60 N -0.14 3.34 -0.03 4.92 0.41 -1.26 -0.29 118.70 125.66 1k1c s GLU 60 Ca 0.30 1.17 0.07 0.00 -0.41 0.00 0.00 54.97 56.10 1k1c s GLU 60 Cb -0.18 -4.16 -0.02 0.00 -1.78 0.00 0.00 34.13 27.99 1k1c s GLU 60 CO 0.16 -1.85 -0.24 0.14 -0.49 0.00 0.00 175.26 172.97 1k1c s VAL 61 N 6.62 2.18 -0.17 2.63 -7.23 0.14 0.17 120.40 124.74 1k1c s VAL 61 Ca 0.72 -1.05 -0.24 0.00 -1.81 0.00 0.00 61.98 59.60 1k1c s VAL 61 Cb -0.18 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 1k1c s VAL 61 CO 0.32 0.58 0.78 -0.89 -0.31 0.00 0.00 175.10 175.58 1k1c s THR 62 N -0.56 4.92 -0.44 5.32 2.01 0.75 -1.05 115.64 126.59 1k1c s THR 62 Ca 0.08 1.53 -0.25 0.00 0.31 0.00 0.00 61.69 63.36 1k1c s THR 62 Cb -0.11 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.34 1k1c s THR 62 CO -0.00 0.05 0.90 -0.76 -0.69 0.00 0.00 174.62 174.12 1k1c s LEU 63 N 2.06 4.04 0.21 4.42 2.01 0.62 -0.51 118.68 131.53 1k1c s LEU 63 Ca 0.36 0.17 0.04 0.00 0.01 0.00 0.00 54.13 54.71 1k1c s LEU 63 Cb -0.16 -3.17 -0.03 0.00 0.01 0.00 0.00 46.19 42.83 1k1c s LEU 63 CO 0.12 -0.99 0.34 -0.63 1.01 0.00 0.00 176.35 176.20 1k1c s ILE 64 N 3.63 5.27 -0.14 -0.59 1.01 0.87 -0.39 121.20 130.86 1k1c s ILE 64 Ca 0.36 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 1k1c s ILE 64 Cb -0.11 -3.81 0.05 0.00 0.01 0.00 0.00 42.46 38.60 1k1c s ILE 64 CO 0.24 -0.25 0.33 0.00 0.00 0.00 0.00 174.94 175.26 1k1c s ALA 65 N -1.91 -0.81 -0.48 9.38 0.00 0.87 -0.45 121.76 128.37 1k1c s ALA 65 Ca 0.35 1.26 0.08 0.00 0.00 0.00 0.00 51.96 53.65 1k1c s ALA 65 Cb -0.10 -0.78 0.29 0.00 0.00 0.00 0.00 23.12 22.53 1k1c s ALA 65 CO 0.29 -0.23 0.71 0.00 0.00 0.00 0.00 175.76 176.53 1k1c n GLN 66 N 4.22 1.66 0.00 0.00 -0.00 0.03 -1.23 117.38 122.06 1k1c n GLN 66 Ca -0.24 -3.90 0.00 0.00 -0.00 0.00 0.00 57.00 52.86 1k1c n GLN 66 Cb 0.54 -1.77 0.00 0.00 -0.00 0.00 0.00 30.24 29.01 1k1c n GLN 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1k1c n GLY 67 N 0.68 4.96 0.15 2.61 0.00 -0.65 -1.14 105.19 111.80 1k1c n GLY 67 Ca 0.26 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 45.40 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 0.10 -2.15 1.61 4.39 -1.86 -3.06 114.58 113.61 1k1c h GLU 68 Ca 0.00 -0.07 -0.69 0.00 0.34 0.00 0.00 59.36 58.94 1k1c h GLU 68 Cb 0.00 0.01 -0.35 0.00 -0.10 0.00 0.00 28.75 28.31 1k1c h GLU 68 CO 0.00 0.69 0.15 -0.25 -1.16 0.00 0.00 179.01 178.44 1k1c n ASP 69 N -3.83 5.90 0.00 1.42 9.92 -1.26 -4.89 116.55 123.82 1k1c n ASP 69 Ca -0.02 -3.71 0.00 0.00 -0.53 0.00 0.00 54.79 50.53 1k1c n ASP 69 Cb 0.62 -0.83 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 1k1c n ASP 69 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1k1c n GLU 70 N -0.24 0.00 -0.22 -1.24 2.13 -1.22 -0.21 120.64 119.63 1k1c n GLU 70 Ca 0.40 0.17 0.03 0.00 0.66 0.00 0.00 57.16 58.42 1k1c n GLU 70 Cb 0.36 -0.94 0.13 0.00 0.27 0.00 0.00 31.44 31.26 1k1c n GLU 70 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1k1c h GLN 71 N 0.00 0.15 0.39 5.31 1.08 -1.87 -0.11 115.11 120.06 1k1c h GLN 71 Ca 0.00 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1k1c h GLN 71 Cb 0.00 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1k1c h GLN 71 CO 0.00 0.10 -0.33 1.49 -0.95 0.00 0.00 178.83 179.14 1k1c h GLU 72 N 0.16 -0.71 0.27 1.46 4.57 -1.93 0.39 114.58 118.79 1k1c h GLU 72 Ca 0.36 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.58 1k1c h GLU 72 Cb 0.60 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 1k1c h GLU 72 CO -0.54 -0.47 -0.19 0.00 -1.18 0.00 0.00 179.01 176.63 1k1c h ALA 73 N -0.26 -0.43 -0.52 2.92 0.00 -0.07 -1.08 119.26 119.82 1k1c h ALA 73 Ca -0.03 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1k1c h ALA 73 Cb 0.64 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1k1c h ALA 73 CO -0.03 -0.76 0.25 1.37 0.00 0.00 0.00 179.25 180.08 1k1c h LEU 74 N -0.45 0.33 0.80 0.00 8.10 -0.95 0.10 115.31 123.25 1k1c h LEU 74 Ca -0.02 0.04 -0.04 0.00 0.11 0.00 0.00 57.88 57.97 1k1c h LEU 74 Cb 0.39 -0.02 0.01 0.00 -0.44 0.00 0.00 40.66 40.59 1k1c h LEU 74 CO 0.01 0.23 -0.41 -0.33 -4.11 0.00 0.00 178.44 173.82 1k1c h GLU 75 N 0.48 -1.07 -0.61 0.17 5.08 -0.70 0.06 114.58 118.00 1k1c h GLU 75 Ca 0.24 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1k1c h GLU 75 Cb 0.18 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1k1c h GLU 75 CO -0.18 -0.71 0.33 1.57 -1.00 0.00 0.00 179.01 179.01 1k1c h LYS 76 N -1.11 0.84 0.29 2.33 5.09 -1.09 0.11 116.57 123.04 1k1c h LYS 76 Ca -0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 60.65 60.53 1k1c h LYS 76 Cb 0.86 -0.17 0.00 0.00 0.10 0.00 0.00 32.23 33.02 1k1c h LYS 76 CO 0.16 0.62 -0.14 -0.07 -2.09 0.00 0.00 179.45 177.94 1k1c h LEU 77 N 0.85 -0.33 -1.56 7.07 -0.00 -0.74 0.64 115.31 121.24 1k1c h LEU 77 Ca 0.22 -0.04 0.02 0.00 -0.00 0.00 0.00 57.88 58.08 1k1c h LEU 77 Cb 0.03 0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 1k1c h LEU 77 CO -0.03 -0.18 0.32 0.00 -0.00 0.00 0.00 178.44 178.54 1k1c h ALA 78 N 0.22 1.71 0.45 1.53 0.00 -0.56 0.90 119.26 123.52 1k1c h ALA 78 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1k1c h ALA 78 Cb 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1k1c h ALA 78 CO 0.07 0.25 -0.40 0.00 0.00 0.00 0.00 179.25 179.16 1k1c h ALA 79 N 1.71 -0.91 -0.46 0.00 0.00 -0.63 -2.81 119.26 116.17 1k1c h ALA 79 Ca 0.18 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1k1c h ALA 79 Cb 0.01 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1k1c h ALA 79 CO -0.04 -1.05 0.11 -0.92 0.00 0.00 0.00 179.25 177.35 1k1c h TYR 80 N -0.86 0.18 -0.37 0.00 3.20 0.26 0.11 116.97 119.50 1k1c h TYR 80 Ca -0.04 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1k1c h TYR 80 Cb 0.75 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1k1c h TYR 80 CO -0.20 0.03 0.12 -0.39 -1.64 0.00 0.00 178.16 176.08 1k1c h VAL 81 N 0.25 1.16 0.00 1.81 -1.51 -0.85 -3.30 116.25 113.81 1k1c h VAL 81 Ca 0.22 -0.53 -0.22 0.00 -1.23 0.00 0.00 66.70 64.95 1k1c h VAL 81 Cb 0.27 0.75 -0.04 0.00 -2.13 0.00 0.00 31.29 30.14 1k1c h VAL 81 CO -0.27 0.20 -2.12 0.00 -1.23 0.00 0.00 177.57 174.14 1k1c n GLN 82 N -4.36 0.88 0.18 5.19 10.64 -0.90 0.32 117.38 129.32 1k1c n GLN 82 Ca 0.02 -0.07 -0.15 0.00 -1.83 0.00 0.00 57.00 54.97 1k1c n GLN 82 Cb 0.16 -1.47 -0.09 0.00 -0.86 0.00 0.00 30.24 27.99 1k1c n GLN 82 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1k1c h GLU 83 N 0.00 -0.74 0.00 2.61 4.57 -1.07 -3.43 114.58 116.52 1k1c h GLU 83 Ca -0.32 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1k1c h GLU 83 Cb 1.69 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 30.45 1k1c h GLU 83 CO 0.02 -0.49 0.00 -0.85 -1.18 0.00 0.00 179.01 176.51 1k1c n GLU 84 N -5.07 0.00 0.00 1.92 0.28 -1.26 -5.13 120.64 111.38 1k1c n GLU 84 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1k1c n GLU 84 Cb 0.38 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.25 1k1c n GLU 84 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30