#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 3.73 0.12 5.55 0.74 -1.26 -2.07 119.66 126.48 1k1c s GLN 3 Ca 0.00 -0.45 0.04 0.00 0.05 0.00 0.00 55.36 55.00 1k1c s GLN 3 Cb 0.00 -3.24 -0.04 0.00 1.10 0.00 0.00 33.01 30.83 1k1c s GLN 3 CO 0.00 -0.02 -0.10 -1.14 -0.55 0.00 0.00 175.29 173.48 1k1c s GLN 4 N 1.15 0.96 -0.23 1.67 2.00 -1.26 -4.95 119.66 119.00 1k1c s GLN 4 Ca 0.04 -1.33 -0.16 0.00 -2.00 0.00 0.00 55.36 51.91 1k1c s GLN 4 Cb -0.14 -0.56 0.07 0.00 0.80 0.00 0.00 33.01 33.17 1k1c s GLN 4 CO 0.03 0.07 0.58 -1.59 -0.50 0.00 0.00 175.29 173.88 1k1c s LYS 5 N -3.38 0.62 -0.24 1.67 -2.85 -1.26 -0.69 119.74 113.62 1k1c s LYS 5 Ca 0.12 0.97 -0.01 0.00 -1.00 0.00 0.00 55.97 56.05 1k1c s LYS 5 Cb 0.01 0.17 0.03 0.00 -2.06 0.00 0.00 37.83 35.98 1k1c s LYS 5 CO -0.00 -0.13 -0.09 0.14 0.10 0.00 0.00 175.35 175.38 1k1c s VAL 6 N 1.08 2.70 0.36 1.79 -7.23 0.35 -4.77 120.40 114.67 1k1c s VAL 6 Ca -0.06 -1.05 -0.21 0.00 -1.81 0.00 0.00 61.98 58.84 1k1c s VAL 6 Cb -0.06 -2.35 -0.10 0.00 0.56 0.00 0.00 36.38 34.43 1k1c s VAL 6 CO -0.10 0.24 0.89 -1.83 -0.31 0.00 0.00 175.10 173.98 1k1c s GLU 7 N 1.30 4.30 0.22 4.82 4.04 -1.26 -0.34 118.70 131.79 1k1c s GLU 7 Ca 0.00 1.08 -0.07 0.00 0.04 0.00 0.00 54.97 56.03 1k1c s GLU 7 Cb -0.16 -2.48 -0.02 0.00 0.02 0.00 0.00 34.13 31.49 1k1c s GLU 7 CO -0.06 0.14 0.30 0.14 -1.84 0.00 0.00 175.26 173.94 1k1c s VAL 8 N -1.91 0.00 -0.05 1.83 -7.23 0.24 -4.85 120.40 108.42 1k1c s VAL 8 Ca 0.55 -1.70 -0.25 0.00 -1.81 0.00 0.00 61.98 58.77 1k1c s VAL 8 Cb -0.13 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 1k1c s VAL 8 CO 0.18 -0.02 0.79 -0.60 -0.31 0.00 0.00 175.10 175.14 1k1c s ARG 9 N -4.09 4.47 -0.98 4.82 3.52 -1.26 0.31 118.95 125.74 1k1c s ARG 9 Ca 0.30 1.04 -0.23 0.00 -0.13 0.00 0.00 55.73 56.72 1k1c s ARG 9 Cb 0.03 -3.46 -0.13 0.00 -1.56 0.00 0.00 34.95 29.84 1k1c s ARG 9 CO 0.10 0.01 1.92 -0.11 -0.81 0.00 0.00 175.30 176.41 1k1c n LEU 10 N 3.89 3.40 -0.14 -0.88 7.94 0.84 -3.52 117.00 128.54 1k1c n LEU 10 Ca 0.01 -3.01 -0.11 0.00 -1.11 0.00 0.00 56.01 51.79 1k1c n LEU 10 Cb 0.51 -1.45 -0.02 0.00 0.53 0.00 0.00 43.42 42.99 1k1c n LEU 10 CO 0.49 -1.27 0.72 0.50 -1.11 0.00 0.00 177.39 176.72 1k1c h LYS 11 N 9.00 0.77 -0.63 1.96 3.64 -1.22 0.31 116.57 130.39 1k1c h LYS 11 Ca 0.30 -0.29 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1k1c h LYS 11 Cb 0.82 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 1k1c h LYS 11 CO 1.54 0.90 0.42 1.15 -2.27 0.00 0.00 179.45 181.19 1k1c h THR 12 N 0.59 1.00 0.00 1.00 2.02 -1.24 -3.43 112.91 112.84 1k1c h THR 12 Ca 0.10 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1k1c h THR 12 Cb 0.61 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1k1c h THR 12 CO 0.04 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.65 1k1c n GLY 13 N -1.47 1.76 0.00 2.16 0.00 -0.33 -4.16 105.19 103.15 1k1c n GLY 13 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.00 -0.10 0.99 4.32 -1.25 0.23 117.00 121.19 1k1c n LEU 14 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.76 1k1c n LEU 14 Cb 0.00 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.68 1k1c n LEU 14 CO 0.00 0.00 -0.75 0.00 -1.22 0.00 0.00 177.39 175.42 1k1c n GLN 15 N 0.00 0.59 0.00 3.23 1.13 -1.26 -3.98 117.38 117.09 1k1c n GLN 15 Ca 0.00 0.47 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 1k1c n GLN 15 Cb 0.00 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 28.66 1k1c n GLN 15 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1k1c n ALA 16 N -3.52 0.00 -0.05 -1.58 0.00 -1.26 -4.99 120.51 109.11 1k1c n ALA 16 Ca -0.37 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.06 1k1c n ALA 16 Cb 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.21 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 0.00 -0.05 0.04 0.00 1.74 -1.26 0.22 116.66 117.35 1k1c n ARG 17 Ca 0.00 0.66 -0.03 0.00 -0.77 0.00 0.00 57.85 57.71 1k1c n ARG 17 Cb 0.00 -0.98 0.22 0.00 -1.02 0.00 0.00 32.46 30.68 1k1c n ARG 17 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1k1c h PRO 18 N 0.00 0.40 -0.07 5.56 0.13 -1.97 0.13 132.00 136.18 1k1c h PRO 18 Ca 0.02 -0.16 -0.21 0.00 -0.87 0.00 0.00 66.00 64.78 1k1c h PRO 18 Cb 0.05 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1k1c h PRO 18 CO -0.11 0.65 -0.82 0.00 -0.23 0.00 0.00 178.00 177.49 1k1c h ALA 19 N 1.35 0.44 -0.01 -0.56 0.00 -1.51 0.11 119.26 119.08 1k1c h ALA 19 Ca 0.05 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 1k1c h ALA 19 Cb 0.68 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1k1c h ALA 19 CO 0.05 0.76 -0.59 0.00 0.00 0.00 0.00 179.25 179.47 1k1c h ALA 20 N 0.77 1.01 -0.29 0.00 0.00 -0.05 0.17 119.26 120.87 1k1c h ALA 20 Ca -0.06 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.36 1k1c h ALA 20 Cb 1.43 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1k1c h ALA 20 CO 0.15 0.73 0.03 1.25 0.00 0.00 0.00 179.25 181.41 1k1c h LEU 21 N 0.02 -0.05 0.15 0.00 6.46 -0.28 0.27 115.31 121.88 1k1c h LEU 21 Ca -0.01 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1k1c h LEU 21 Cb 1.05 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 41.03 1k1c h LEU 21 CO 0.08 0.01 -0.43 0.15 -0.62 0.00 0.00 178.44 177.63 1k1c h PHE 22 N 0.12 -1.23 -1.00 1.25 3.57 0.07 0.24 116.94 119.96 1k1c h PHE 22 Ca 0.14 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.82 1k1c h PHE 22 Cb 0.17 0.52 -0.09 0.00 2.79 0.00 0.00 35.95 39.33 1k1c h PHE 22 CO -0.19 -0.50 0.62 -0.39 -2.23 0.00 0.00 178.31 175.62 1k1c h VAL 23 N -0.65 0.84 0.00 1.41 -1.51 -0.31 0.68 116.25 116.71 1k1c h VAL 23 Ca -0.01 -0.31 -0.08 0.00 -1.23 0.00 0.00 66.70 65.07 1k1c h VAL 23 Cb 0.63 -0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 29.64 1k1c h VAL 23 CO -0.20 0.16 -0.39 0.06 -1.23 0.00 0.00 177.57 175.97 1k1c h GLN 24 N 0.90 0.00 0.31 5.19 -0.00 -0.14 0.55 115.11 121.91 1k1c h GLN 24 Ca 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 59.16 1k1c h GLN 24 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.14 1k1c h GLN 24 CO -0.30 0.39 -0.15 0.93 -0.00 0.00 0.00 178.83 179.70 1k1c h GLU 25 N 0.00 -0.40 -0.85 0.06 4.39 0.12 0.51 114.58 118.42 1k1c h GLU 25 Ca -0.00 0.03 0.22 0.00 0.34 0.00 0.00 59.36 59.94 1k1c h GLU 25 Cb 0.97 0.09 -0.13 0.00 -0.10 0.00 0.00 28.75 29.58 1k1c h GLU 25 CO 0.05 -0.07 0.23 0.00 -1.16 0.00 0.00 179.01 178.06 1k1c h ALA 26 N -0.52 1.21 -0.95 3.43 0.00 -1.11 0.14 119.26 121.47 1k1c h ALA 26 Ca -0.04 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1k1c h ALA 26 Cb 0.52 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1k1c h ALA 26 CO 0.07 -0.43 0.57 -0.97 0.00 0.00 0.00 179.25 178.49 1k1c h ASN 27 N 0.24 1.14 -0.33 0.00 -0.73 0.33 -2.77 115.58 113.46 1k1c h ASN 27 Ca 0.52 -0.07 -0.02 0.00 1.87 0.00 0.00 56.30 58.60 1k1c h ASN 27 Cb 1.01 -0.29 -0.01 0.00 0.27 0.00 0.00 38.32 39.30 1k1c h ASN 27 CO -0.62 0.88 0.11 0.03 -0.37 0.00 0.00 177.43 177.47 1k1c h ARG 28 N 1.31 0.50 -6.30 6.67 3.08 0.28 -3.40 114.38 116.52 1k1c h ARG 28 Ca 0.34 -0.10 -0.62 0.00 0.07 0.00 0.00 59.98 59.66 1k1c h ARG 28 Cb -0.05 -0.08 0.02 0.00 0.08 0.00 0.00 29.97 29.95 1k1c h ARG 28 CO -0.06 0.53 1.02 1.19 -1.07 0.00 0.00 179.97 181.57 1k1c n PHE 29 N -4.68 2.27 -1.08 3.04 3.72 -0.55 -4.84 117.46 115.35 1k1c n PHE 29 Ca -0.02 0.11 -0.22 0.00 -0.05 0.00 0.00 57.45 57.27 1k1c n PHE 29 Cb 0.16 -2.62 -0.11 0.00 -0.94 0.00 0.00 39.48 35.97 1k1c n PHE 29 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1k1c n THR 30 N 4.75 3.39 -4.24 4.37 -1.04 -1.26 -4.81 114.28 115.44 1k1c n THR 30 Ca 0.22 -1.86 -0.17 0.00 -2.04 0.00 0.00 64.05 60.20 1k1c n THR 30 Cb 0.27 -2.22 -0.13 0.00 -1.82 0.00 0.00 70.33 66.43 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 2.15 1.24 -0.96 8.00 0.01 -1.26 -0.02 113.70 122.87 1k1c s SER 31 Ca 0.65 -0.41 -0.24 0.00 1.31 0.00 0.00 55.95 57.26 1k1c s SER 31 Cb 0.25 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.40 1k1c s SER 31 CO -0.02 -0.02 1.82 -1.81 0.41 0.00 0.00 173.24 173.61 1k1c s ASP 32 N -1.04 5.52 0.12 2.44 1.01 0.12 -4.63 116.67 120.20 1k1c s ASP 32 Ca -0.01 -0.97 -0.30 0.00 0.71 0.00 0.00 52.55 51.98 1k1c s ASP 32 Cb -0.07 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 41.23 1k1c s ASP 32 CO 0.01 -2.42 0.98 -0.69 0.21 0.00 0.00 175.17 173.26 1k1c s VAL 33 N 8.71 4.44 0.19 -1.27 1.01 -1.26 -0.60 120.40 131.62 1k1c s VAL 33 Ca 0.63 2.03 0.03 0.00 0.00 0.00 0.00 61.98 64.67 1k1c s VAL 33 Cb -0.04 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 1k1c s VAL 33 CO -0.02 0.31 -0.01 -0.36 0.00 0.00 0.00 175.10 175.02 1k1c s PHE 34 N -0.02 1.36 -0.04 5.22 0.08 0.55 0.01 117.98 125.13 1k1c s PHE 34 Ca 0.47 -0.95 -0.02 0.00 0.12 0.00 0.00 56.93 56.55 1k1c s PHE 34 Cb -0.24 -0.77 0.03 0.00 -0.57 0.00 0.00 43.02 41.47 1k1c s PHE 34 CO 0.30 -0.11 0.06 -1.17 -0.10 0.00 0.00 175.22 174.20 1k1c s LEU 35 N -3.23 0.31 -0.47 -0.37 2.96 0.10 0.23 118.68 118.21 1k1c s LEU 35 Ca 0.25 0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 54.21 1k1c s LEU 35 Cb 0.05 -0.10 0.12 0.00 0.50 0.00 0.00 46.19 46.77 1k1c s LEU 35 CO 0.06 -0.23 0.28 -1.61 -1.32 0.00 0.00 176.35 173.53 1k1c s GLU 36 N 1.97 2.19 -0.98 1.98 2.02 0.28 -0.37 118.70 125.79 1k1c s GLU 36 Ca 0.02 -2.00 -0.26 0.00 0.02 0.00 0.00 54.97 52.75 1k1c s GLU 36 Cb -0.12 -3.65 -0.18 0.00 0.10 0.00 0.00 34.13 30.27 1k1c s GLU 36 CO -0.03 -1.11 2.20 0.15 0.02 0.00 0.00 175.26 176.48 1k1c s LYS 37 N 0.85 1.46 -1.22 1.61 1.02 0.26 -0.39 119.74 123.35 1k1c s LYS 37 Ca 0.10 -0.16 -0.05 0.00 0.02 0.00 0.00 55.97 55.88 1k1c s LYS 37 Cb -0.22 -4.94 0.04 0.00 -0.52 0.00 0.00 37.83 32.19 1k1c s LYS 37 CO -0.04 -4.96 0.32 -0.25 -0.92 0.00 0.00 175.35 169.50 1k1c n ASP 38 N 18.76 -4.02 0.00 2.83 8.00 0.64 -0.77 116.55 141.99 1k1c n ASP 38 Ca 0.43 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1k1c n ASP 38 Cb 0.46 -3.35 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 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 -1.07 1.12 2.84 0.44 0.00 -1.10 -5.02 105.19 102.40 1k1c n GLY 39 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 2.51 -2.94 1.61 4.76 0.05 -4.89 118.16 119.26 1k1c n LYS 40 Ca 0.00 -2.42 -0.39 0.00 -2.87 0.00 0.00 58.31 52.63 1k1c n LYS 40 Cb 0.00 -3.20 -0.06 0.00 -1.84 0.00 0.00 35.03 29.93 1k1c n LYS 40 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1k1c s LYS 41 N 3.68 4.60 0.34 1.97 2.36 -1.23 -0.57 119.74 130.89 1k1c s LYS 41 Ca 0.50 1.21 -0.06 0.00 -2.55 0.00 0.00 55.97 55.06 1k1c s LYS 41 Cb 0.14 -3.23 0.01 0.00 -1.05 0.00 0.00 37.83 33.70 1k1c s LYS 41 CO -0.03 0.55 0.54 0.14 1.55 0.00 0.00 175.35 178.09 1k1c s VAL 42 N -1.19 0.00 -0.53 4.02 -7.23 0.50 -4.90 120.40 111.07 1k1c s VAL 42 Ca 0.37 -1.46 -0.27 0.00 -1.81 0.00 0.00 61.98 58.81 1k1c s VAL 42 Cb -0.23 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 1k1c s VAL 42 CO 0.27 0.00 1.98 0.54 -0.31 0.00 0.00 175.10 177.58 1k1c s ASN 43 N -3.18 5.20 0.49 4.85 6.03 -1.26 0.00 114.94 127.07 1k1c s ASN 43 Ca 0.27 0.70 0.29 0.00 -1.03 0.00 0.00 52.86 53.09 1k1c s ASN 43 Cb -0.01 -2.52 1.38 0.00 -3.03 0.00 0.00 41.25 37.06 1k1c s ASN 43 CO 0.17 -2.36 1.80 0.00 -2.03 0.00 0.00 177.10 174.68 1k1c h ALA 44 N 15.60 2.76 0.00 3.54 0.00 -0.60 -0.17 119.26 140.39 1k1c h ALA 44 Ca -0.27 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1k1c h ALA 44 Cb 1.19 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1k1c h ALA 44 CO 1.17 -1.11 -1.46 0.36 0.00 0.00 0.00 179.25 178.21 1k1c n LYS 45 N -4.36 0.63 -3.36 0.00 2.85 -1.25 -4.29 118.16 108.37 1k1c n LYS 45 Ca 0.25 0.01 -0.21 0.00 -1.05 0.00 0.00 58.31 57.30 1k1c n LYS 45 Cb 1.07 -1.70 0.02 0.00 -0.65 0.00 0.00 35.03 33.77 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 -5.08 5.07 0.22 -5.58 0.01 -0.13 -4.72 113.70 103.48 1k1c s SER 46 Ca -0.04 -0.85 -0.13 0.00 1.31 0.00 0.00 55.95 56.24 1k1c s SER 46 Cb 0.11 -0.03 0.29 0.00 0.21 0.00 0.00 66.02 66.60 1k1c s SER 46 CO 0.84 -1.03 1.39 0.00 0.41 0.00 0.00 173.24 174.85 1k1c n ILE 47 N -1.90 -0.44 0.28 1.44 0.00 -1.26 -0.21 119.36 117.27 1k1c n ILE 47 Ca 0.07 2.08 0.13 0.00 0.00 0.00 0.00 62.75 65.04 1k1c n ILE 47 Cb 0.62 -2.80 0.81 0.00 0.00 0.00 0.00 39.64 38.27 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 0.00 9.51 4.05 -1.96 0.70 114.93 127.23 1k1c h MET 48 Ca 0.35 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.77 1k1c h MET 48 Cb 0.58 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1k1c h MET 48 CO -0.90 0.05 0.00 0.41 0.23 0.00 0.00 176.91 176.70 1k1c n GLY 49 N -1.11 1.02 0.38 1.39 0.00 0.71 -1.08 105.19 106.50 1k1c n GLY 49 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 1k1c n GLY 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1k1c h LEU 50 N 0.00 -1.47 0.08 0.99 3.38 -0.60 0.66 115.31 118.34 1k1c h LEU 50 Ca 0.00 0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1k1c h LEU 50 Cb 0.00 0.74 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1k1c h LEU 50 CO 0.00 -0.29 -0.04 -0.03 0.09 0.00 0.00 178.44 178.17 1k1c h MET 51 N -0.05 -0.10 0.00 1.13 1.85 0.15 -3.34 114.93 114.58 1k1c h MET 51 Ca 0.30 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.39 1k1c h MET 51 Cb 0.57 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.62 1k1c h MET 51 CO -0.91 0.45 0.00 0.43 -0.40 0.00 0.00 176.91 176.48 1k1c n SER 52 N -4.80 0.00 -0.04 1.39 7.64 -0.29 -4.77 113.62 112.75 1k1c n SER 52 Ca -0.07 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.80 1k1c n SER 52 Cb 0.29 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 -6.83 -3.43 -0.00 0.40 -3.41 115.31 102.04 1k1c h LEU 53 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 57.88 57.30 1k1c h LEU 53 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.69 1k1c h LEU 53 CO 0.00 0.42 2.01 0.00 -0.00 0.00 0.00 178.44 180.87 1k1c n ALA 54 N -2.70 2.94 0.00 1.53 0.00 0.22 -1.03 120.51 121.46 1k1c n ALA 54 Ca -0.01 -3.24 0.00 0.00 0.00 0.00 0.00 53.44 50.19 1k1c n ALA 54 Cb 0.03 -3.61 0.00 0.00 0.00 0.00 0.00 19.45 15.87 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 6.42 0.00 -2.12 0.00 3.14 0.14 -3.02 118.33 122.88 1k1c n VAL 55 Ca 0.49 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.57 1k1c n VAL 55 Cb 0.42 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.14 1k1c n VAL 55 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1k1c s SER 56 N -0.38 5.22 -0.35 6.55 0.01 -0.20 -3.89 113.70 120.65 1k1c s SER 56 Ca 0.00 -1.75 -0.42 0.00 1.31 0.00 0.00 55.95 55.08 1k1c s SER 56 Cb 0.00 -2.59 -0.17 0.00 0.21 0.00 0.00 66.02 63.47 1k1c s SER 56 CO 0.00 -2.88 1.69 0.41 0.41 0.00 0.00 173.24 172.87 1k1c n THR 57 N 7.65 0.20 0.00 1.44 -1.04 -1.24 -1.62 114.28 119.68 1k1c n THR 57 Ca 0.45 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 1k1c n THR 57 Cb 0.46 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 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 4.13 0.48 3.74 3.41 0.00 0.93 -4.92 105.19 112.96 1k1c n GLY 58 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 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 4.55 -1.24 2.61 2.01 -0.64 -4.55 115.64 116.39 1k1c s THR 59 Ca 0.00 1.89 -0.19 0.00 0.31 0.00 0.00 61.69 63.70 1k1c s THR 59 Cb 0.00 -4.24 0.06 0.00 0.01 0.00 0.00 72.50 68.33 1k1c s THR 59 CO 0.00 0.36 1.70 -1.61 -0.69 0.00 0.00 174.62 174.38 1k1c s GLU 60 N -0.16 3.81 -0.11 4.92 0.41 -1.24 -0.11 118.70 126.22 1k1c s GLU 60 Ca 0.43 -1.78 -0.19 0.00 -0.41 0.00 0.00 54.97 53.02 1k1c s GLU 60 Cb -0.22 -5.49 -0.04 0.00 -1.78 0.00 0.00 34.13 26.60 1k1c s GLU 60 CO 0.27 -2.37 0.52 0.14 -0.49 0.00 0.00 175.26 173.33 1k1c s VAL 61 N 4.84 5.16 -0.36 2.63 -7.23 0.15 -0.26 120.40 125.33 1k1c s VAL 61 Ca 0.54 1.04 -0.29 0.00 -1.81 0.00 0.00 61.98 61.46 1k1c s VAL 61 Cb 0.03 -3.86 0.01 0.00 0.56 0.00 0.00 36.38 33.13 1k1c s VAL 61 CO 0.05 0.32 1.22 -0.89 -0.31 0.00 0.00 175.10 175.49 1k1c s THR 62 N 0.63 4.21 -0.59 5.32 2.01 0.48 -0.60 115.64 127.10 1k1c s THR 62 Ca 0.28 1.33 -0.27 0.00 0.31 0.00 0.00 61.69 63.34 1k1c s THR 62 Cb -0.16 -4.33 0.03 0.00 0.01 0.00 0.00 72.50 68.05 1k1c s THR 62 CO 0.12 -0.64 1.13 -0.22 -0.69 0.00 0.00 174.62 174.31 1k1c s LEU 63 N 4.37 3.63 0.23 4.42 1.98 0.54 -0.55 118.68 133.30 1k1c s LEU 63 Ca 0.52 -0.12 -0.10 0.00 -2.89 0.00 0.00 54.13 51.54 1k1c s LEU 63 Cb -0.13 -2.98 -0.07 0.00 0.66 0.00 0.00 46.19 43.67 1k1c s LEU 63 CO 0.25 -1.45 0.56 -0.63 -1.89 0.00 0.00 176.35 173.19 1k1c s ILE 64 N 4.73 4.91 -0.41 6.68 1.01 0.14 -0.50 121.20 137.77 1k1c s ILE 64 Ca 0.38 0.53 0.03 0.00 0.00 0.00 0.00 60.65 61.59 1k1c s ILE 64 Cb -0.09 -3.62 0.16 0.00 0.01 0.00 0.00 42.46 38.92 1k1c s ILE 64 CO 0.22 -0.05 0.37 0.00 0.00 0.00 0.00 174.94 175.48 1k1c s ALA 65 N -1.80 0.56 -1.32 9.38 0.00 0.14 -0.33 121.76 128.38 1k1c s ALA 65 Ca 0.47 -1.84 -0.13 0.00 0.00 0.00 0.00 51.96 50.47 1k1c s ALA 65 Cb -0.11 -1.81 0.12 0.00 0.00 0.00 0.00 23.12 21.31 1k1c s ALA 65 CO 0.21 -2.06 1.87 0.00 0.00 0.00 0.00 175.76 175.77 1k1c n GLN 66 N 3.32 3.31 -1.16 0.00 10.64 0.23 -3.64 117.38 130.07 1k1c n GLN 66 Ca 0.22 -3.31 0.00 0.00 -1.83 0.00 0.00 57.00 52.08 1k1c n GLN 66 Cb 0.46 -3.13 0.00 0.00 -0.86 0.00 0.00 30.24 26.72 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 3.76 3.19 0.38 2.61 0.00 -0.88 -0.71 105.19 113.54 1k1c n GLY 67 Ca 0.44 -1.27 0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 0.38 -0.44 1.61 4.39 -0.76 0.75 114.58 120.50 1k1c h GLU 68 Ca 0.00 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 1k1c h GLU 68 Cb 0.00 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.49 1k1c h GLU 68 CO 0.00 0.25 0.08 -0.25 -1.16 0.00 0.00 179.01 177.92 1k1c n ASP 69 N -4.47 3.85 0.00 1.42 8.00 -1.26 -4.95 116.55 119.14 1k1c n ASP 69 Ca 0.13 -3.28 0.00 0.00 0.71 0.00 0.00 54.79 52.36 1k1c n ASP 69 Cb 0.51 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1k1c n ASP 69 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1k1c n GLU 70 N -0.56 0.00 -0.33 -1.24 2.13 0.26 0.01 120.64 120.91 1k1c n GLU 70 Ca 0.31 0.09 0.20 0.00 0.66 0.00 0.00 57.16 58.43 1k1c n GLU 70 Cb 1.10 -0.36 0.42 0.00 0.27 0.00 0.00 31.44 32.86 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 0.31 0.20 5.31 5.75 -1.86 0.82 115.11 125.65 1k1c h GLN 71 Ca 0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1k1c h GLN 71 Cb 0.00 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1k1c h GLN 71 CO 0.00 0.21 -0.10 1.49 -2.65 0.00 0.00 178.83 177.78 1k1c h GLU 72 N 0.32 -0.26 0.48 1.69 4.57 -1.29 -1.05 114.58 119.04 1k1c h GLU 72 Ca 0.68 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.86 1k1c h GLU 72 Cb 1.49 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.12 1k1c h GLU 72 CO -0.61 0.05 -0.39 0.00 -1.18 0.00 0.00 179.01 176.88 1k1c h ALA 73 N 0.12 -1.11 -0.39 2.92 0.00 0.13 -0.64 119.26 120.28 1k1c h ALA 73 Ca -0.03 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1k1c h ALA 73 Cb 0.43 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1k1c h ALA 73 CO 0.05 -1.12 0.11 1.37 0.00 0.00 0.00 179.25 179.66 1k1c h LEU 74 N -0.85 0.09 0.45 0.00 8.10 -1.00 -0.34 115.31 121.76 1k1c h LEU 74 Ca -0.06 0.05 -0.02 0.00 0.11 0.00 0.00 57.88 57.96 1k1c h LEU 74 Cb 0.71 0.05 -0.00 0.00 -0.44 0.00 0.00 40.66 40.99 1k1c h LEU 74 CO -0.00 0.09 -0.25 -0.33 -4.11 0.00 0.00 178.44 173.84 1k1c h GLU 75 N 0.26 -0.63 -0.15 0.17 5.08 -1.10 -0.40 114.58 117.82 1k1c h GLU 75 Ca 0.19 0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.45 1k1c h GLU 75 Cb 0.19 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1k1c h GLU 75 CO -0.21 -0.42 -0.49 1.57 -1.00 0.00 0.00 179.01 178.46 1k1c h LYS 76 N -0.65 0.39 -0.07 2.33 2.10 -0.89 0.87 116.57 120.66 1k1c h LYS 76 Ca -0.05 -0.23 -0.01 0.00 -2.00 0.00 0.00 60.65 58.36 1k1c h LYS 76 Cb 0.52 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1k1c h LYS 76 CO 0.07 0.80 0.02 -0.07 -2.00 0.00 0.00 179.45 178.27 1k1c h LEU 77 N 0.31 0.10 -1.01 7.07 -0.00 -1.03 0.16 115.31 120.91 1k1c h LEU 77 Ca 0.01 -0.21 0.06 0.00 -0.00 0.00 0.00 57.88 57.74 1k1c h LEU 77 Cb 0.98 -0.03 -0.07 0.00 -0.00 0.00 0.00 40.66 41.55 1k1c h LEU 77 CO 0.08 0.29 0.65 0.00 -0.00 0.00 0.00 178.44 179.46 1k1c h ALA 78 N 0.82 1.40 0.44 1.53 0.00 -0.91 0.19 119.26 122.72 1k1c h ALA 78 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1k1c h ALA 78 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1k1c h ALA 78 CO -0.00 0.46 -0.46 0.00 0.00 0.00 0.00 179.25 179.25 1k1c h ALA 79 N 1.45 -1.02 -0.68 0.00 0.00 -0.42 -2.86 119.26 115.74 1k1c h ALA 79 Ca 0.43 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.27 1k1c h ALA 79 Cb 0.15 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1k1c h ALA 79 CO -0.17 -1.11 0.45 -0.92 0.00 0.00 0.00 179.25 177.50 1k1c h TYR 80 N -0.92 0.61 0.00 0.00 3.20 -0.04 0.16 116.97 119.98 1k1c h TYR 80 Ca -0.05 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.78 1k1c h TYR 80 Cb 0.81 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 1k1c h TYR 80 CO -0.25 0.30 -0.27 -0.39 -1.64 0.00 0.00 178.16 175.91 1k1c h VAL 81 N 0.58 0.60 0.00 1.81 -1.51 -0.81 -3.40 116.25 113.52 1k1c h VAL 81 Ca 0.31 -1.30 -0.11 0.00 -1.23 0.00 0.00 66.70 64.37 1k1c h VAL 81 Cb 0.45 1.88 -0.02 0.00 -2.13 0.00 0.00 31.29 31.47 1k1c h VAL 81 CO -0.10 0.26 -1.42 0.00 -1.23 0.00 0.00 177.57 175.08 1k1c n GLN 82 N -3.37 0.18 0.03 5.19 10.64 -0.44 -0.79 117.38 128.83 1k1c n GLN 82 Ca 0.00 0.05 0.13 0.00 -1.83 0.00 0.00 57.00 55.35 1k1c n GLN 82 Cb 0.48 -1.06 0.52 0.00 -0.86 0.00 0.00 30.24 29.32 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 -2.86 0.08 0.00 2.61 0.28 0.44 -4.51 120.64 116.68 1k1c n GLU 83 Ca -0.13 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1k1c n GLU 83 Cb 0.63 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.90 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 -1.74 0.00 0.00 3.44 0.00 -1.26 -5.08 120.64 116.00 1k1c n GLU 84 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1k1c n GLU 84 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.77 1k1c n GLU 84 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46