#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 3.43 0.01 7.34 0.74 -1.26 -2.36 119.66 127.56 1k1c s GLN 3 Ca 0.00 -0.57 -0.02 0.00 0.05 0.00 0.00 55.36 54.82 1k1c s GLN 3 Cb 0.00 -2.78 -0.01 0.00 1.10 0.00 0.00 33.01 31.32 1k1c s GLN 3 CO 0.00 0.31 0.03 -0.65 -0.55 0.00 0.00 175.29 174.43 1k1c s GLN 4 N 0.15 0.33 -0.06 1.67 -1.52 -1.26 -5.00 119.66 113.96 1k1c s GLN 4 Ca -0.03 -0.46 -0.14 0.00 -1.95 0.00 0.00 55.36 52.78 1k1c s GLN 4 Cb -0.14 0.13 0.03 0.00 -0.22 0.00 0.00 33.01 32.81 1k1c s GLN 4 CO 0.03 -0.06 0.34 -1.59 -0.25 0.00 0.00 175.29 173.76 1k1c s LYS 5 N -1.25 0.58 0.24 2.91 -2.85 -1.26 -1.55 119.74 116.56 1k1c s LYS 5 Ca -0.14 0.10 0.08 0.00 -1.00 0.00 0.00 55.97 55.01 1k1c s LYS 5 Cb -0.08 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 1k1c s LYS 5 CO -0.00 -0.13 0.07 0.08 0.10 0.00 0.00 175.35 175.47 1k1c s VAL 6 N -0.71 3.90 -0.06 1.79 1.01 0.40 -4.88 120.40 121.85 1k1c s VAL 6 Ca -0.08 -1.59 -0.04 0.00 0.00 0.00 0.00 61.98 60.26 1k1c s VAL 6 Cb -0.04 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1k1c s VAL 6 CO 0.03 -0.29 0.14 -1.61 0.00 0.00 0.00 175.10 173.37 1k1c s GLU 7 N -3.54 3.38 -0.01 2.72 0.41 -1.26 0.17 118.70 120.56 1k1c s GLU 7 Ca 0.31 -0.26 -0.02 0.00 -0.41 0.00 0.00 54.97 54.59 1k1c s GLU 7 Cb -0.08 -3.10 0.00 0.00 -1.78 0.00 0.00 34.13 29.18 1k1c s GLU 7 CO 0.21 0.72 0.04 0.14 -0.49 0.00 0.00 175.26 175.89 1k1c s VAL 8 N -1.16 0.01 -0.56 2.63 -7.23 0.31 -4.90 120.40 109.49 1k1c s VAL 8 Ca 0.21 -0.05 -0.27 0.00 -1.81 0.00 0.00 61.98 60.06 1k1c s VAL 8 Cb -0.12 -0.08 0.03 0.00 0.56 0.00 0.00 36.38 36.77 1k1c s VAL 8 CO 0.11 -0.03 1.10 -0.60 -0.31 0.00 0.00 175.10 175.37 1k1c s ARG 9 N -0.06 3.47 -0.09 4.82 3.52 -1.26 0.54 118.95 129.89 1k1c s ARG 9 Ca -0.01 0.10 -0.17 0.00 -0.13 0.00 0.00 55.73 55.52 1k1c s ARG 9 Cb -0.01 -4.02 -0.20 0.00 -1.56 0.00 0.00 34.95 29.16 1k1c s ARG 9 CO 0.00 -1.58 1.19 -0.11 -0.81 0.00 0.00 175.30 173.99 1k1c n LEU 10 N 8.05 0.09 0.02 -0.88 7.94 0.73 -4.03 117.00 128.93 1k1c n LEU 10 Ca 0.06 -1.20 -0.10 0.00 -1.11 0.00 0.00 56.01 53.66 1k1c n LEU 10 Cb 0.48 -0.42 0.03 0.00 0.53 0.00 0.00 43.42 44.05 1k1c n LEU 10 CO 0.69 -1.74 0.41 0.50 -1.11 0.00 0.00 177.39 176.13 1k1c h LYS 11 N 8.96 0.51 -0.39 1.96 3.64 -1.57 0.26 116.57 129.93 1k1c h LYS 11 Ca 0.13 -0.37 0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1k1c h LYS 11 Cb 0.67 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.46 1k1c h LYS 11 CO 1.32 0.99 -0.33 1.79 -2.27 0.00 0.00 179.45 180.95 1k1c h THR 12 N 0.37 0.22 -1.29 1.00 1.35 -1.23 -3.44 112.91 109.90 1k1c h THR 12 Ca -0.01 0.00 -0.42 0.00 -0.55 0.00 0.00 66.41 65.43 1k1c h THR 12 Cb 1.21 0.22 -0.14 0.00 -1.73 0.00 0.00 68.15 67.71 1k1c h THR 12 CO 0.12 0.00 -0.41 0.61 -0.25 0.00 0.00 175.52 175.59 1k1c n GLY 13 N -1.42 1.58 3.88 5.82 0.00 -0.94 -4.01 105.19 110.09 1k1c n GLY 13 Ca 0.01 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.44 -0.75 -0.01 0.99 4.77 -0.59 -3.71 117.00 115.27 1k1c n LEU 14 Ca -0.21 -1.03 -0.17 0.00 -0.03 0.00 0.00 56.01 54.57 1k1c n LEU 14 Cb 0.68 -1.40 -0.12 0.00 -2.33 0.00 0.00 43.42 40.26 1k1c n LEU 14 CO 0.31 0.57 0.29 1.56 -1.33 0.00 0.00 177.39 178.79 1k1c h GLN 15 N -1.17 0.30 0.00 3.23 4.20 -1.88 -3.41 115.11 116.38 1k1c h GLN 15 Ca -0.61 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 57.76 1k1c h GLN 15 Cb 1.24 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.12 1k1c h GLN 15 CO 0.40 1.05 0.00 0.00 -0.67 0.00 0.00 178.83 179.61 1k1c n ALA 16 N -2.58 0.00 0.29 3.87 0.00 -1.26 -5.01 120.51 115.82 1k1c n ALA 16 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1k1c n ALA 16 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.00 1k1c n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k1c h ARG 17 N 0.00 -0.79 -0.29 0.00 3.08 -1.98 0.23 114.38 114.64 1k1c h ARG 17 Ca 0.00 0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1k1c h ARG 17 Cb 0.00 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1k1c h ARG 17 CO 0.00 -0.53 0.04 -1.00 -1.07 0.00 0.00 179.97 177.41 1k1c h PRO 18 N -0.82 0.42 0.02 0.04 0.13 -1.97 0.25 132.00 130.06 1k1c h PRO 18 Ca -0.07 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 65.00 1k1c h PRO 18 Cb 0.66 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1k1c h PRO 18 CO 0.07 0.42 -0.04 0.00 -0.23 0.00 0.00 178.00 178.21 1k1c h ALA 19 N 1.64 -0.06 0.00 -0.56 0.00 -1.88 0.16 119.26 118.56 1k1c h ALA 19 Ca 0.10 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1k1c h ALA 19 Cb 0.21 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1k1c h ALA 19 CO 0.00 -0.55 -0.36 0.00 0.00 0.00 0.00 179.25 178.34 1k1c h ALA 20 N 0.89 1.11 0.03 0.00 0.00 -0.00 -1.08 119.26 120.21 1k1c h ALA 20 Ca 0.01 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1k1c h ALA 20 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1k1c h ALA 20 CO -0.03 0.45 -0.13 1.25 0.00 0.00 0.00 179.25 180.79 1k1c h LEU 21 N 0.00 -0.37 -0.05 0.00 6.46 0.43 0.51 115.31 122.28 1k1c h LEU 21 Ca -0.00 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1k1c h LEU 21 Cb 0.79 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 1k1c h LEU 21 CO 0.05 -0.19 -0.06 0.15 -0.62 0.00 0.00 178.44 177.77 1k1c h PHE 22 N -0.24 -0.18 -0.95 1.25 3.04 -0.18 0.41 116.94 120.09 1k1c h PHE 22 Ca 0.04 0.01 0.20 0.00 3.98 0.00 0.00 57.97 62.19 1k1c h PHE 22 Cb 0.28 0.08 -0.11 0.00 2.56 0.00 0.00 35.95 38.76 1k1c h PHE 22 CO -0.17 -0.05 0.54 -0.39 -2.02 0.00 0.00 178.31 176.22 1k1c h VAL 23 N -0.03 0.63 -0.18 1.41 -1.51 -1.01 -0.96 116.25 114.61 1k1c h VAL 23 Ca 0.01 -0.22 -0.13 0.00 -1.23 0.00 0.00 66.70 65.13 1k1c h VAL 23 Cb 0.06 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 29.15 1k1c h VAL 23 CO -0.07 0.12 -0.45 -0.61 -1.23 0.00 0.00 177.57 175.33 1k1c h GLN 24 N 0.63 0.45 -0.17 5.19 -0.00 0.99 0.25 115.11 122.45 1k1c h GLN 24 Ca 0.57 -0.24 -0.17 0.00 -0.00 0.00 0.00 58.65 58.81 1k1c h GLN 24 Cb 0.95 0.01 0.01 0.00 0.00 0.00 0.00 27.48 28.45 1k1c h GLN 24 CO -0.42 0.81 -0.55 0.93 0.00 0.00 0.00 178.83 179.59 1k1c h GLU 25 N 0.36 0.67 -0.65 1.69 4.39 0.10 0.82 114.58 121.97 1k1c h GLU 25 Ca 0.02 -0.50 0.10 0.00 0.34 0.00 0.00 59.36 59.33 1k1c h GLU 25 Cb 0.93 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.59 1k1c h GLU 25 CO 0.08 1.12 0.25 0.00 -1.16 0.00 0.00 179.01 179.30 1k1c h ALA 26 N 0.56 0.86 -0.68 3.43 0.00 -0.97 -1.39 119.26 121.07 1k1c h ALA 26 Ca -0.02 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1k1c h ALA 26 Cb 1.18 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1k1c h ALA 26 CO 0.12 -0.18 0.38 -0.91 0.00 0.00 0.00 179.25 178.66 1k1c h ASN 27 N 0.43 0.84 -1.19 0.00 2.35 -0.15 -3.28 115.58 114.59 1k1c h ASN 27 Ca 0.34 -0.09 0.34 0.00 -0.55 0.00 0.00 56.30 56.34 1k1c h ASN 27 Cb 0.43 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 1k1c h ASN 27 CO -0.33 0.68 0.85 0.03 -1.65 0.00 0.00 177.43 177.01 1k1c h ARG 28 N 0.93 0.03 0.00 0.81 2.47 0.18 -3.28 114.38 115.53 1k1c h ARG 28 Ca 0.24 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1k1c h ARG 28 Cb 0.02 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1k1c h ARG 28 CO -0.04 0.02 0.00 1.19 0.56 0.00 0.00 179.97 181.70 1k1c n PHE 29 N -4.22 0.00 0.14 3.04 3.72 -1.21 -5.05 117.46 113.88 1k1c n PHE 29 Ca 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1k1c n PHE 29 Cb 1.23 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.77 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 -0.20 4.37 -2.24 -1.24 -4.91 114.28 110.06 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 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -3.08 -0.32 -4.58 3.42 7.64 -1.26 -4.78 113.62 110.67 1k1c n SER 31 Ca 0.00 0.14 -0.31 0.00 1.01 0.00 0.00 58.87 59.71 1k1c n SER 31 Cb 0.00 -0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.01 1k1c n SER 31 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1k1c s ASP 32 N -0.15 5.44 0.46 6.43 1.01 -0.11 -4.53 116.67 125.22 1k1c s ASP 32 Ca 0.09 -1.76 -0.21 0.00 0.71 0.00 0.00 52.55 51.38 1k1c s ASP 32 Cb -0.12 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.14 1k1c s ASP 32 CO 0.09 -2.63 1.04 0.68 0.21 0.00 0.00 175.17 174.56 1k1c s VAL 33 N 9.44 3.77 0.09 -1.27 -7.23 -1.26 -0.65 120.40 123.29 1k1c s VAL 33 Ca 0.65 1.17 -0.04 0.00 -1.81 0.00 0.00 61.98 61.94 1k1c s VAL 33 Cb -0.00 -3.51 -0.02 0.00 0.56 0.00 0.00 36.38 33.41 1k1c s VAL 33 CO 0.11 -0.18 0.09 -0.36 -0.31 0.00 0.00 175.10 174.45 1k1c s PHE 34 N -1.90 0.45 -0.07 2.82 0.08 0.69 -0.18 117.98 119.87 1k1c s PHE 34 Ca 0.65 -0.91 0.01 0.00 0.12 0.00 0.00 56.93 56.79 1k1c s PHE 34 Cb -0.18 -0.27 0.02 0.00 -0.57 0.00 0.00 43.02 42.03 1k1c s PHE 34 CO 0.22 -0.49 -0.07 -1.17 -0.10 0.00 0.00 175.22 173.60 1k1c s LEU 35 N -2.93 1.34 -0.51 -0.37 2.96 0.51 -0.15 118.68 119.53 1k1c s LEU 35 Ca 0.11 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1k1c s LEU 35 Cb 0.06 -0.67 0.13 0.00 0.50 0.00 0.00 46.19 46.22 1k1c s LEU 35 CO -0.07 -0.05 0.26 -1.61 -1.32 0.00 0.00 176.35 173.56 1k1c s GLU 36 N 1.10 1.85 -0.79 1.98 2.02 0.89 -0.37 118.70 125.39 1k1c s GLU 36 Ca -0.07 -2.52 -0.25 0.00 0.02 0.00 0.00 54.97 52.15 1k1c s GLU 36 Cb -0.14 -3.12 -0.15 0.00 0.10 0.00 0.00 34.13 30.82 1k1c s GLU 36 CO -0.01 -1.12 2.41 1.63 0.02 0.00 0.00 175.26 178.18 1k1c n LYS 37 N 3.17 0.55 -2.55 1.61 5.02 0.95 -0.27 118.16 126.64 1k1c n LYS 37 Ca 0.06 -0.78 -0.16 0.00 -2.02 0.00 0.00 58.31 55.41 1k1c n LYS 37 Cb 0.33 -3.56 -0.00 0.00 -0.02 0.00 0.00 35.03 31.77 1k1c n LYS 37 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1k1c n ASP 38 N 18.03 -4.46 0.00 4.39 9.92 0.66 -0.71 116.55 144.38 1k1c n ASP 38 Ca 0.48 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.80 1k1c n ASP 38 Cb 0.42 -3.75 0.00 0.00 -0.64 0.00 0.00 41.12 37.15 1k1c n ASP 38 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k1c n GLY 39 N -0.93 2.03 3.57 0.44 0.00 -0.60 -5.03 105.19 104.67 1k1c n GLY 39 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1k1c n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1c s LYS 40 N -0.13 2.97 0.03 1.61 -0.14 0.12 -4.84 119.74 119.35 1k1c s LYS 40 Ca 0.00 -1.23 -0.09 0.00 -1.36 0.00 0.00 55.97 53.29 1k1c s LYS 40 Cb 0.00 -5.30 -0.05 0.00 -1.68 0.00 0.00 37.83 30.80 1k1c s LYS 40 CO 0.00 -3.31 0.32 0.21 -0.76 0.00 0.00 175.35 171.82 1k1c s LYS 41 N 5.87 3.67 0.20 1.68 2.36 -1.23 -0.04 119.74 132.26 1k1c s LYS 41 Ca 0.63 0.07 -0.09 0.00 -2.55 0.00 0.00 55.97 54.03 1k1c s LYS 41 Cb -0.00 -3.07 -0.01 0.00 -1.05 0.00 0.00 37.83 33.69 1k1c s LYS 41 CO 0.08 0.63 0.33 0.14 1.55 0.00 0.00 175.35 178.07 1k1c s VAL 42 N -1.29 0.03 -0.56 4.02 -7.23 0.51 -4.92 120.40 110.95 1k1c s VAL 42 Ca 0.28 -1.48 -0.27 0.00 -1.81 0.00 0.00 61.98 58.71 1k1c s VAL 42 Cb -0.14 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 1k1c s VAL 42 CO 0.16 -0.15 1.90 0.21 -0.31 0.00 0.00 175.10 176.90 1k1c s ASN 43 N -3.01 5.29 0.39 4.85 3.04 -1.26 -0.36 114.94 123.88 1k1c s ASN 43 Ca 0.22 0.53 0.18 0.00 0.04 0.00 0.00 52.86 53.83 1k1c s ASN 43 Cb 0.02 -2.53 1.10 0.00 -1.54 0.00 0.00 41.25 38.31 1k1c s ASN 43 CO 0.05 -2.33 1.76 0.00 -3.04 0.00 0.00 177.10 173.54 1k1c h ALA 44 N 15.06 2.22 0.00 1.71 0.00 -0.79 0.88 119.26 138.33 1k1c h ALA 44 Ca -0.27 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1k1c h ALA 44 Cb 1.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1k1c h ALA 44 CO 1.19 -0.64 -0.10 1.57 0.00 0.00 0.00 179.25 181.26 1k1c h LYS 45 N 0.39 0.00 -6.37 0.00 2.10 -1.73 -3.31 116.57 107.65 1k1c h LYS 45 Ca 0.61 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 58.83 1k1c h LYS 45 Cb 1.54 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.88 1k1c h LYS 45 CO -0.32 0.00 -0.30 -1.12 -2.00 0.00 0.00 179.45 175.71 1k1c s SER 46 N -4.88 5.71 0.24 7.07 0.01 0.28 -4.63 113.70 117.50 1k1c s SER 46 Ca 0.09 -0.37 -0.09 0.00 1.31 0.00 0.00 55.95 56.89 1k1c s SER 46 Cb 0.11 -0.86 0.37 0.00 0.21 0.00 0.00 66.02 65.85 1k1c s SER 46 CO 0.63 -0.63 1.62 -0.29 0.41 0.00 0.00 173.24 174.99 1k1c h ILE 47 N 0.78 0.31 0.00 1.44 -0.00 -1.90 0.28 117.51 118.42 1k1c h ILE 47 Ca -0.42 -0.02 -0.03 0.00 -0.00 0.00 0.00 64.86 64.39 1k1c h ILE 47 Cb 1.27 0.26 -0.00 0.00 -0.00 0.00 0.00 36.82 38.34 1k1c h ILE 47 CO 0.49 0.01 -0.14 -0.03 -0.00 0.00 0.00 178.15 178.48 1k1c h MET 48 N 0.05 0.00 0.14 2.19 4.05 -1.95 0.76 114.93 120.18 1k1c h MET 48 Ca 0.38 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.79 1k1c h MET 48 Cb 0.63 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 1k1c h MET 48 CO -0.70 0.14 -0.07 0.78 0.23 0.00 0.00 176.91 177.29 1k1c h GLY 49 N 1.56 -0.20 0.00 1.39 0.00 -0.45 -0.35 103.07 105.02 1k1c h GLY 49 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1k1c h GLY 49 CO 0.02 -0.07 0.00 -0.10 0.00 0.00 0.00 176.54 176.38 1k1c n LEU 50 N -4.13 0.00 0.07 3.11 7.94 0.69 0.20 117.00 124.88 1k1c n LEU 50 Ca -0.02 0.56 -0.07 0.00 -1.11 0.00 0.00 56.01 55.36 1k1c n LEU 50 Cb 0.08 -0.06 0.08 0.00 0.53 0.00 0.00 43.42 44.06 1k1c n LEU 50 CO 0.06 -0.06 0.44 -0.03 -1.11 0.00 0.00 177.39 176.69 1k1c h MET 51 N 0.00 0.32 0.00 1.96 4.05 0.26 -1.52 114.93 120.00 1k1c h MET 51 Ca 0.00 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 1k1c h MET 51 Cb 0.00 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 1k1c h MET 51 CO 0.00 0.85 0.00 0.43 0.23 0.00 0.00 176.91 178.42 1k1c n SER 52 N -3.87 0.00 -0.07 1.39 7.64 -0.51 -4.22 113.62 113.98 1k1c n SER 52 Ca -0.03 0.11 -0.12 0.00 1.01 0.00 0.00 58.87 59.84 1k1c n SER 52 Cb 0.64 -0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.15 -3.43 4.07 -0.95 -3.31 115.31 111.54 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 0.00 0.00 -1.08 0.00 0.00 178.44 178.31 1k1c n ALA 54 N -2.73 1.09 0.83 1.53 0.00 0.13 -0.87 120.51 120.50 1k1c n ALA 54 Ca -0.10 0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.45 1k1c n ALA 54 Cb 0.41 -1.06 0.47 0.00 0.00 0.00 0.00 19.45 19.26 1k1c n ALA 54 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1k1c n VAL 55 N -1.59 0.50 -2.03 0.00 3.14 -0.57 -1.54 118.33 116.24 1k1c n VAL 55 Ca 0.00 0.13 -0.42 0.00 -2.96 0.00 0.00 64.34 61.09 1k1c n VAL 55 Cb 0.03 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.01 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 -1.36 4.81 -4.63 6.55 7.64 -0.05 -4.52 113.62 122.06 1k1c n SER 56 Ca 0.08 -2.98 -0.65 0.00 1.01 0.00 0.00 58.87 56.33 1k1c n SER 56 Cb 0.18 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 61.73 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 4.01 0.04 0.00 0.44 -1.04 -1.22 -0.94 114.28 115.56 1k1c n THR 57 Ca 0.47 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 1k1c n THR 57 Cb 0.36 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 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 4.87 0.41 3.72 3.41 0.00 0.86 -4.93 105.19 113.54 1k1c n GLY 58 Ca 0.36 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.01 4.51 -1.12 2.61 2.01 -0.12 -4.55 115.64 116.97 1k1c s THR 59 Ca 0.00 1.99 -0.21 0.00 0.31 0.00 0.00 61.69 63.78 1k1c s THR 59 Cb 0.00 -4.28 0.03 0.00 0.01 0.00 0.00 72.50 68.27 1k1c s THR 59 CO 0.00 0.26 1.65 -1.83 -0.69 0.00 0.00 174.62 174.01 1k1c s GLU 60 N 0.28 3.53 -0.07 4.92 -1.05 -1.24 -0.19 118.70 124.88 1k1c s GLU 60 Ca 0.49 -1.36 -0.14 0.00 -0.15 0.00 0.00 54.97 53.81 1k1c s GLU 60 Cb -0.24 -5.38 -0.05 0.00 -0.44 0.00 0.00 34.13 28.02 1k1c s GLU 60 CO 0.30 -2.51 0.36 0.14 0.95 0.00 0.00 175.26 174.50 1k1c s VAL 61 N 5.77 5.18 -0.24 1.83 -7.23 0.19 -0.25 120.40 125.65 1k1c s VAL 61 Ca 0.53 0.71 -0.29 0.00 -1.81 0.00 0.00 61.98 61.12 1k1c s VAL 61 Cb 0.01 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.28 1k1c s VAL 61 CO -0.00 0.49 1.14 -0.89 -0.31 0.00 0.00 175.10 175.53 1k1c s THR 62 N -0.40 4.46 -0.38 5.32 2.01 0.63 -0.53 115.64 126.75 1k1c s THR 62 Ca 0.21 1.74 -0.16 0.00 0.31 0.00 0.00 61.69 63.78 1k1c s THR 62 Cb -0.15 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.14 1k1c s THR 62 CO 0.09 -0.28 0.41 -0.22 -0.69 0.00 0.00 174.62 173.94 1k1c s LEU 63 N 3.54 4.65 0.22 4.42 0.20 0.13 -0.08 118.68 131.76 1k1c s LEU 63 Ca 0.49 -0.44 0.06 0.00 0.69 0.00 0.00 54.13 54.93 1k1c s LEU 63 Cb -0.16 -2.38 -0.04 0.00 -0.43 0.00 0.00 46.19 43.18 1k1c s LEU 63 CO 0.13 -0.47 0.19 -0.63 -0.29 0.00 0.00 176.35 175.27 1k1c s ILE 64 N 2.10 4.52 -0.38 6.68 1.01 0.79 -0.45 121.20 135.48 1k1c s ILE 64 Ca 0.12 -1.27 0.02 0.00 0.00 0.00 0.00 60.65 59.52 1k1c s ILE 64 Cb -0.17 -3.40 0.15 0.00 0.01 0.00 0.00 42.46 39.05 1k1c s ILE 64 CO 0.13 -0.28 0.30 0.00 0.00 0.00 0.00 174.94 175.10 1k1c s ALA 65 N -2.01 0.70 -1.20 9.38 0.00 -0.59 -0.22 121.76 127.82 1k1c s ALA 65 Ca 0.32 -1.83 -0.10 0.00 0.00 0.00 0.00 51.96 50.35 1k1c s ALA 65 Cb -0.09 -1.73 0.21 0.00 0.00 0.00 0.00 23.12 21.51 1k1c s ALA 65 CO 0.25 -2.08 1.51 0.00 0.00 0.00 0.00 175.76 175.44 1k1c n GLN 66 N 3.64 3.61 0.00 0.00 10.64 0.18 -3.64 117.38 131.81 1k1c n GLN 66 Ca 0.18 -3.96 0.00 0.00 -1.83 0.00 0.00 57.00 51.39 1k1c n GLN 66 Cb 0.43 -2.86 0.00 0.00 -0.86 0.00 0.00 30.24 26.95 1k1c n GLN 66 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1k1c n GLY 67 N 3.14 3.41 0.36 2.61 0.00 -0.99 -0.94 105.19 112.78 1k1c n GLY 67 Ca 0.34 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.68 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 1.10 -1.15 1.61 3.07 -1.88 0.70 114.58 118.04 1k1c h GLU 68 Ca 0.00 -0.07 -0.63 0.00 -0.50 0.00 0.00 59.36 58.16 1k1c h GLU 68 Cb 0.00 -0.25 -0.36 0.00 -0.84 0.00 0.00 28.75 27.30 1k1c h GLU 68 CO 0.00 0.73 0.00 -0.25 -1.40 0.00 0.00 179.01 178.09 1k1c n ASP 69 N -4.52 6.15 0.00 1.42 9.92 -1.26 -4.91 116.55 123.34 1k1c n ASP 69 Ca 0.14 -3.77 0.00 0.00 -0.53 0.00 0.00 54.79 50.63 1k1c n ASP 69 Cb 0.16 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 39.98 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 -0.71 0.00 -0.24 -1.24 2.13 0.24 0.15 120.64 120.97 1k1c n GLU 70 Ca 0.51 0.13 0.02 0.00 0.66 0.00 0.00 57.16 58.48 1k1c n GLU 70 Cb 0.71 -0.60 0.11 0.00 0.27 0.00 0.00 31.44 31.93 1k1c n GLU 70 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1k1c h GLN 71 N 0.00 0.04 -0.13 5.31 -0.00 -1.85 0.07 115.11 118.55 1k1c h GLN 71 Ca 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.66 1k1c h GLN 71 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.46 1k1c h GLN 71 CO 0.00 0.02 0.06 1.49 0.00 0.00 0.00 178.83 180.41 1k1c h GLU 72 N 0.04 0.14 0.43 1.69 4.81 -1.88 -0.61 114.58 119.19 1k1c h GLU 72 Ca 0.36 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1k1c h GLU 72 Cb 0.59 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1k1c h GLU 72 CO -0.69 0.09 -0.21 0.00 -0.73 0.00 0.00 179.01 177.47 1k1c h ALA 73 N 1.07 -0.58 -0.33 2.92 0.00 0.82 -1.74 119.26 121.43 1k1c h ALA 73 Ca 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1k1c h ALA 73 Cb 0.01 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1k1c h ALA 73 CO -0.04 -0.81 0.20 1.37 0.00 0.00 0.00 179.25 179.97 1k1c h LEU 74 N -0.61 0.39 -0.13 0.00 8.10 -0.92 -0.76 115.31 121.38 1k1c h LEU 74 Ca -0.06 -0.05 -0.02 0.00 0.11 0.00 0.00 57.88 57.86 1k1c h LEU 74 Cb 0.46 -0.10 -0.00 0.00 -0.44 0.00 0.00 40.66 40.58 1k1c h LEU 74 CO 0.10 0.33 0.01 1.05 -4.11 0.00 0.00 178.44 175.81 1k1c h GLU 75 N 0.42 0.23 -0.37 0.17 4.11 -1.10 0.13 114.58 118.16 1k1c h GLU 75 Ca 0.12 -0.07 0.04 0.00 0.07 0.00 0.00 59.36 59.51 1k1c h GLU 75 Cb 0.01 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1k1c h GLU 75 CO -0.02 0.45 0.16 1.57 0.07 0.00 0.00 179.01 181.24 1k1c h LYS 76 N -0.02 0.32 0.95 1.06 2.10 -1.21 -0.43 116.57 119.34 1k1c h LYS 76 Ca 0.04 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.62 1k1c h LYS 76 Cb 0.35 -0.07 0.01 0.00 -0.90 0.00 0.00 32.23 31.61 1k1c h LYS 76 CO 0.01 0.21 -0.46 -0.07 -2.00 0.00 0.00 179.45 177.14 1k1c h LEU 77 N 0.33 -1.08 -1.82 7.07 -0.00 -1.01 0.96 115.31 119.75 1k1c h LEU 77 Ca 0.16 0.04 0.12 0.00 -0.00 0.00 0.00 57.88 58.20 1k1c h LEU 77 Cb 0.11 0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 41.02 1k1c h LEU 77 CO -0.14 -0.75 0.36 0.00 -0.00 0.00 0.00 178.44 177.91 1k1c h ALA 78 N -1.29 2.22 0.66 1.53 0.00 -0.65 0.18 119.26 121.91 1k1c h ALA 78 Ca -0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1k1c h ALA 78 Cb 0.98 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1k1c h ALA 78 CO 0.21 -0.36 -0.32 0.00 0.00 0.00 0.00 179.25 178.79 1k1c h ALA 79 N 1.74 -1.02 -0.70 0.00 0.00 -0.88 -3.31 119.26 115.09 1k1c h ALA 79 Ca 0.25 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.10 1k1c h ALA 79 Cb 0.71 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 1k1c h ALA 79 CO -0.04 -0.96 0.22 -0.92 0.00 0.00 0.00 179.25 177.55 1k1c h TYR 80 N -1.06 0.37 0.00 0.00 3.20 0.74 0.12 116.97 120.34 1k1c h TYR 80 Ca -0.09 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 1k1c h TYR 80 Cb 0.68 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 1k1c h TYR 80 CO 0.03 0.01 -0.16 -0.39 -1.64 0.00 0.00 178.16 176.01 1k1c h VAL 81 N 0.36 0.84 0.00 1.81 -1.51 -0.85 -3.35 116.25 113.55 1k1c h VAL 81 Ca 0.38 -0.62 -0.07 0.00 -1.23 0.00 0.00 66.70 65.16 1k1c h VAL 81 Cb 0.58 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1k1c h VAL 81 CO -0.41 0.16 -1.25 0.00 -1.23 0.00 0.00 177.57 174.83 1k1c n GLN 82 N -3.94 0.49 -0.01 5.19 10.64 -0.92 -0.78 117.38 128.05 1k1c n GLN 82 Ca -0.02 0.02 -0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1k1c n GLN 82 Cb 0.25 -1.09 -0.00 0.00 -0.86 0.00 0.00 30.24 28.54 1k1c n GLN 82 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1k1c n GLU 83 N -2.57 -0.01 0.00 2.61 2.13 0.39 -4.42 120.64 118.76 1k1c n GLU 83 Ca -0.08 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1k1c n GLU 83 Cb 0.59 -0.83 0.00 0.00 0.27 0.00 0.00 31.44 31.46 1k1c n GLU 83 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1k1c n GLU 84 N -2.67 0.00 0.00 5.31 0.00 -1.26 -5.11 120.64 116.91 1k1c n GLU 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1k1c n GLU 84 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.45 1k1c n GLU 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41