#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 3.31 0.20 7.34 0.74 -1.26 -2.98 119.66 127.01 1k1c s GLN 3 Ca 0.00 -0.66 0.11 0.00 0.05 0.00 0.00 55.36 54.85 1k1c s GLN 3 Cb 0.00 -2.92 -0.04 0.00 1.10 0.00 0.00 33.01 31.14 1k1c s GLN 3 CO 0.00 -0.19 -0.22 -1.14 -0.55 0.00 0.00 175.29 173.20 1k1c s GLN 4 N 1.41 1.46 0.07 1.67 -0.44 -0.04 -4.94 119.66 118.85 1k1c s GLN 4 Ca 0.05 -1.52 -0.12 0.00 -2.50 0.00 0.00 55.36 51.27 1k1c s GLN 4 Cb -0.14 -1.68 0.01 0.00 -1.64 0.00 0.00 33.01 29.57 1k1c s GLN 4 CO -0.05 0.35 0.26 -1.59 0.50 0.00 0.00 175.29 174.76 1k1c s LYS 5 N -2.82 0.83 -0.06 1.67 0.00 -1.25 -0.32 119.74 117.79 1k1c s LYS 5 Ca 0.20 -0.69 -0.02 0.00 0.00 0.00 0.00 55.97 55.46 1k1c s LYS 5 Cb -0.07 0.35 0.03 0.00 0.00 0.00 0.00 37.83 38.14 1k1c s LYS 5 CO 0.09 -0.27 0.04 0.14 0.00 0.00 0.00 175.35 175.35 1k1c s VAL 6 N -3.10 0.09 0.45 1.79 -7.23 0.35 -4.86 120.40 107.90 1k1c s VAL 6 Ca -0.01 0.28 -0.15 0.00 -1.81 0.00 0.00 61.98 60.29 1k1c s VAL 6 Cb 0.01 -0.32 -0.08 0.00 0.56 0.00 0.00 36.38 36.55 1k1c s VAL 6 CO -0.07 0.20 0.89 -1.83 -0.31 0.00 0.00 175.10 173.98 1k1c s GLU 7 N 2.09 3.93 0.25 4.82 4.04 -1.26 -0.23 118.70 132.34 1k1c s GLU 7 Ca 0.05 0.80 -0.16 0.00 0.04 0.00 0.00 54.97 55.69 1k1c s GLU 7 Cb -0.12 -2.25 0.01 0.00 0.02 0.00 0.00 34.13 31.79 1k1c s GLU 7 CO -0.04 -0.13 0.57 0.14 -1.84 0.00 0.00 175.26 173.95 1k1c s VAL 8 N -2.44 0.01 0.39 1.83 -7.23 0.27 -4.88 120.40 108.35 1k1c s VAL 8 Ca 0.56 -1.14 -0.18 0.00 -1.81 0.00 0.00 61.98 59.41 1k1c s VAL 8 Cb -0.10 -2.00 -0.10 0.00 0.56 0.00 0.00 36.38 34.74 1k1c s VAL 8 CO 0.28 -0.03 0.87 -0.60 -0.31 0.00 0.00 175.10 175.31 1k1c s ARG 9 N -3.96 4.13 -1.02 4.82 3.52 -1.25 0.37 118.95 125.56 1k1c s ARG 9 Ca 0.16 0.94 -0.24 0.00 -0.13 0.00 0.00 55.73 56.46 1k1c s ARG 9 Cb -0.02 -2.28 -0.05 0.00 -1.56 0.00 0.00 34.95 31.04 1k1c s ARG 9 CO 0.06 0.04 1.90 -0.51 -0.81 0.00 0.00 175.30 175.98 1k1c s LEU 10 N -3.13 3.18 0.06 -0.88 2.01 0.11 -2.98 118.68 117.04 1k1c s LEU 10 Ca 0.59 -1.13 -0.17 0.00 0.01 0.00 0.00 54.13 53.43 1k1c s LEU 10 Cb -0.09 -2.57 -0.16 0.00 0.01 0.00 0.00 46.19 43.38 1k1c s LEU 10 CO 0.15 -2.71 1.28 0.50 1.01 0.00 0.00 176.35 176.58 1k1c h LYS 11 N 10.52 0.55 -0.03 1.70 3.11 -0.51 0.32 116.57 132.22 1k1c h LYS 11 Ca 0.16 -0.39 -0.02 0.00 -2.81 0.00 0.00 60.65 57.58 1k1c h LYS 11 Cb 0.98 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.27 1k1c h LYS 11 CO 1.24 1.01 -0.06 1.79 -2.81 0.00 0.00 179.45 180.62 1k1c h THR 12 N 0.18 1.43 -1.92 1.00 1.35 -1.28 -3.41 112.91 110.27 1k1c h THR 12 Ca -0.01 -1.36 -0.34 0.00 -0.55 0.00 0.00 66.41 64.15 1k1c h THR 12 Cb 1.04 2.27 -0.05 0.00 -1.73 0.00 0.00 68.15 69.68 1k1c h THR 12 CO 0.09 0.37 -0.39 0.61 -0.25 0.00 0.00 175.52 175.94 1k1c n GLY 13 N 0.42 0.27 3.97 5.82 0.00 -1.19 -4.06 105.19 110.42 1k1c n GLY 13 Ca -0.08 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.26 -0.43 -0.07 0.99 7.99 -1.04 -3.47 117.00 118.71 1k1c n LEU 14 Ca -0.19 -1.11 -0.05 0.00 -0.01 0.00 0.00 56.01 54.64 1k1c n LEU 14 Cb 0.62 -1.42 -0.02 0.00 -0.11 0.00 0.00 43.42 42.50 1k1c n LEU 14 CO 0.24 0.66 -0.40 0.00 -1.51 0.00 0.00 177.39 176.38 1k1c n GLN 15 N -4.15 0.41 0.00 3.23 6.02 -1.26 -4.20 117.38 117.42 1k1c n GLN 15 Ca -0.14 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1k1c n GLN 15 Cb 0.53 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1k1c n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k1c n ALA 16 N -3.70 1.58 0.00 -1.58 0.00 -1.26 -4.92 120.51 110.63 1k1c n ALA 16 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 1k1c n ALA 16 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.76 1k1c n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1k1c n ARG 17 N -1.45 0.00 0.27 0.00 3.00 -1.26 -4.27 116.66 112.95 1k1c n ARG 17 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.85 58.02 1k1c n ARG 17 Cb 0.00 -0.15 0.93 0.00 0.00 0.00 0.00 32.46 33.24 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 -0.01 0.00 0.32 -0.14 0.13 -1.97 0.28 132.00 130.61 1k1c h PRO 18 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1k1c h PRO 18 Cb 0.01 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1k1c h PRO 18 CO 0.00 0.00 -0.46 0.00 -0.23 0.00 0.00 178.00 177.31 1k1c h ALA 19 N 1.85 -0.96 -0.46 -0.56 0.00 -1.86 0.28 119.26 117.56 1k1c h ALA 19 Ca 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1k1c h ALA 19 Cb 0.25 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1k1c h ALA 19 CO -0.00 -1.09 0.15 0.00 0.00 0.00 0.00 179.25 178.31 1k1c h ALA 20 N -0.54 1.40 -0.33 0.00 0.00 -1.13 -2.04 119.26 116.62 1k1c h ALA 20 Ca -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1k1c h ALA 20 Cb 0.78 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1k1c h ALA 20 CO -0.15 0.45 0.18 1.25 0.00 0.00 0.00 179.25 180.98 1k1c h LEU 21 N 0.67 0.29 0.30 0.00 7.12 -0.13 0.31 115.31 123.86 1k1c h LEU 21 Ca 0.16 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.17 1k1c h LEU 21 Cb 0.19 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.25 1k1c h LEU 21 CO -0.01 0.21 -0.34 0.15 -0.13 0.00 0.00 178.44 178.32 1k1c h PHE 22 N 0.38 -0.96 -0.67 1.25 3.57 0.21 0.97 116.94 121.70 1k1c h PHE 22 Ca 0.13 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.76 1k1c h PHE 22 Cb 0.02 0.38 -0.08 0.00 2.79 0.00 0.00 35.95 39.05 1k1c h PHE 22 CO -0.08 -0.44 0.24 0.28 -2.23 0.00 0.00 178.31 176.07 1k1c h VAL 23 N -0.65 0.70 0.07 1.41 2.07 -1.26 0.58 116.25 119.16 1k1c h VAL 23 Ca -0.04 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1k1c h VAL 23 Cb 0.57 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1k1c h VAL 23 CO -0.07 0.07 -0.53 -0.61 0.02 0.00 0.00 177.57 176.46 1k1c h GLN 24 N 0.40 -0.69 -0.18 1.57 4.15 -0.07 0.16 115.11 120.45 1k1c h GLN 24 Ca 0.35 0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.72 1k1c h GLN 24 Cb 0.49 0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.34 1k1c h GLN 24 CO -0.36 -0.46 -0.27 0.93 -1.93 0.00 0.00 178.83 176.74 1k1c h GLU 25 N -0.71 0.50 -0.73 1.69 4.39 -0.43 0.42 114.58 119.70 1k1c h GLU 25 Ca 0.00 -0.30 0.12 0.00 0.34 0.00 0.00 59.36 59.52 1k1c h GLU 25 Cb 0.74 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.33 1k1c h GLU 25 CO -0.32 0.90 0.32 0.00 -1.16 0.00 0.00 179.01 178.75 1k1c h ALA 26 N 0.60 1.03 -0.43 3.43 0.00 -0.86 -0.74 119.26 122.28 1k1c h ALA 26 Ca 0.02 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1k1c h ALA 26 Cb 0.85 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1k1c h ALA 26 CO 0.06 -0.14 0.10 -0.91 0.00 0.00 0.00 179.25 178.36 1k1c h ASN 27 N 0.51 0.66 0.00 0.00 2.35 -0.50 -3.38 115.58 115.23 1k1c h ASN 27 Ca 0.39 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1k1c h ASN 27 Cb 0.52 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1k1c h ASN 27 CO -0.35 0.73 0.00 0.54 -1.65 0.00 0.00 177.43 176.70 1k1c n ARG 28 N -4.52 0.00 0.00 0.81 1.74 0.15 -3.81 116.66 111.02 1k1c n ARG 28 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1k1c n ARG 28 Cb 0.22 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 1k1c n ARG 28 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1k1c n PHE 29 N 0.60 0.00 0.20 -1.55 3.72 -1.26 -4.99 117.46 114.18 1k1c n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1k1c n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -0.39 0.00 -0.44 4.37 -2.24 -1.25 -4.93 114.28 109.39 1k1c n THR 30 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 1k1c n THR 30 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.34 -0.22 -4.56 3.42 7.64 -1.26 -4.83 113.62 110.47 1k1c n SER 31 Ca 0.00 0.35 -0.37 0.00 1.01 0.00 0.00 58.87 59.87 1k1c n SER 31 Cb 0.00 -0.29 -0.04 0.00 -1.01 0.00 0.00 64.21 62.88 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 -0.17 5.80 0.32 6.43 2.15 0.15 -4.50 116.67 126.85 1k1c s ASP 32 Ca 0.23 -0.64 -0.00 0.00 0.43 0.00 0.00 52.55 52.57 1k1c s ASP 32 Cb -0.33 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.70 1k1c s ASP 32 CO 0.17 -2.10 0.53 0.68 -0.17 0.00 0.00 175.17 174.28 1k1c s VAL 33 N 7.38 5.11 0.25 1.11 -7.23 -1.26 -0.13 120.40 125.62 1k1c s VAL 33 Ca 0.54 -0.40 -0.01 0.00 -1.81 0.00 0.00 61.98 60.31 1k1c s VAL 33 Cb -0.06 -3.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.02 1k1c s VAL 33 CO 0.05 -0.48 0.25 -0.36 -0.31 0.00 0.00 175.10 174.24 1k1c s PHE 34 N -2.23 1.17 -0.05 2.82 0.40 0.41 0.01 117.98 120.51 1k1c s PHE 34 Ca 0.40 -1.34 -0.02 0.00 -0.60 0.00 0.00 56.93 55.37 1k1c s PHE 34 Cb -0.10 -0.44 0.03 0.00 0.51 0.00 0.00 43.02 43.03 1k1c s PHE 34 CO 0.34 -0.80 0.11 -1.17 0.70 0.00 0.00 175.22 174.41 1k1c s LEU 35 N -3.20 0.88 -0.30 -0.37 2.96 0.12 -0.17 118.68 118.60 1k1c s LEU 35 Ca 0.36 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 1k1c s LEU 35 Cb 0.04 0.25 0.09 0.00 0.50 0.00 0.00 46.19 47.07 1k1c s LEU 35 CO 0.16 -0.13 0.05 -1.61 -1.32 0.00 0.00 176.35 173.50 1k1c s GLU 36 N 1.06 1.14 -0.67 1.98 2.02 0.72 -0.06 118.70 124.89 1k1c s GLU 36 Ca -0.08 -1.33 -0.26 0.00 0.02 0.00 0.00 54.97 53.32 1k1c s GLU 36 Cb -0.11 -2.53 -0.12 0.00 0.10 0.00 0.00 34.13 31.47 1k1c s GLU 36 CO -0.05 -0.90 2.42 1.63 0.02 0.00 0.00 175.26 178.39 1k1c n LYS 37 N 4.61 0.73 -2.75 1.61 4.76 0.33 -0.25 118.16 127.20 1k1c n LYS 37 Ca -0.02 -0.43 -0.17 0.00 -2.87 0.00 0.00 58.31 54.82 1k1c n LYS 37 Cb 0.42 -3.43 -0.00 0.00 -1.84 0.00 0.00 35.03 30.18 1k1c n LYS 37 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1k1c n ASP 38 N 16.85 -4.20 0.00 4.39 8.00 0.57 -0.69 116.55 141.46 1k1c n ASP 38 Ca 0.44 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.91 1k1c n ASP 38 Cb 0.46 -3.52 0.00 0.00 -0.02 0.00 0.00 41.12 38.04 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 -0.99 2.18 3.35 0.44 0.00 -0.34 -5.02 105.19 104.81 1k1c n GLY 39 Ca -0.11 0.00 -0.39 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 -0.30 2.41 -2.77 1.61 4.76 0.13 -4.84 118.16 119.17 1k1c n LYS 40 Ca 0.00 -2.70 -0.32 0.00 -2.87 0.00 0.00 58.31 52.42 1k1c n LYS 40 Cb 0.00 -3.44 -0.05 0.00 -1.84 0.00 0.00 35.03 29.70 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 4.82 4.03 0.09 1.97 2.36 -1.25 -0.52 119.74 131.24 1k1c s LYS 41 Ca 0.57 0.88 -0.24 0.00 -2.55 0.00 0.00 55.97 54.63 1k1c s LYS 41 Cb 0.06 -2.25 0.07 0.00 -1.05 0.00 0.00 37.83 34.65 1k1c s LYS 41 CO 0.07 -0.06 0.60 0.14 1.55 0.00 0.00 175.35 177.65 1k1c s VAL 42 N -2.30 0.01 -0.61 4.02 -7.23 0.92 -4.89 120.40 110.32 1k1c s VAL 42 Ca 0.58 -0.07 -0.28 0.00 -1.81 0.00 0.00 61.98 60.40 1k1c s VAL 42 Cb -0.10 -1.01 -0.11 0.00 0.56 0.00 0.00 36.38 35.73 1k1c s VAL 42 CO 0.22 -0.04 2.48 -3.20 -0.31 0.00 0.00 175.10 174.25 1k1c n ASN 43 N 0.06 1.80 -0.33 4.85 2.85 -1.26 0.13 115.26 123.35 1k1c n ASN 43 Ca -0.18 -0.27 0.09 0.00 -0.11 0.00 0.00 54.58 54.11 1k1c n ASN 43 Cb 0.62 -1.40 0.26 0.00 1.24 0.00 0.00 39.78 40.50 1k1c n ASN 43 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1k1c h ALA 44 N 17.20 1.47 0.00 5.20 0.00 -0.59 0.25 119.26 142.78 1k1c h ALA 44 Ca -0.20 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1k1c h ALA 44 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1k1c h ALA 44 CO 1.21 0.03 -0.06 0.36 0.00 0.00 0.00 179.25 180.79 1k1c n LYS 45 N -4.75 0.13 -3.18 0.00 2.85 -1.25 -3.60 118.16 108.36 1k1c n LYS 45 Ca 0.19 0.10 -0.20 0.00 -1.05 0.00 0.00 58.31 57.35 1k1c n LYS 45 Cb 0.45 -1.64 0.03 0.00 -0.65 0.00 0.00 35.03 33.22 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 -3.71 5.20 0.15 -5.58 0.01 0.74 -4.91 113.70 105.59 1k1c s SER 46 Ca 0.12 -0.77 -0.22 0.00 1.31 0.00 0.00 55.95 56.39 1k1c s SER 46 Cb 0.16 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.38 1k1c s SER 46 CO 0.58 -1.09 1.63 -0.29 0.41 0.00 0.00 173.24 174.48 1k1c h ILE 47 N 0.45 0.40 0.00 1.44 -0.00 -1.89 -0.71 117.51 117.20 1k1c h ILE 47 Ca -0.34 0.00 -0.06 0.00 -0.00 0.00 0.00 64.86 64.46 1k1c h ILE 47 Cb 1.29 0.40 -0.01 0.00 -0.00 0.00 0.00 36.82 38.50 1k1c h ILE 47 CO 0.45 0.00 -0.27 -0.03 -0.00 0.00 0.00 178.15 178.31 1k1c h MET 48 N -0.25 0.00 0.65 2.19 4.05 -1.94 0.76 114.93 120.39 1k1c h MET 48 Ca 0.13 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 1k1c h MET 48 Cb 0.46 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.26 1k1c h MET 48 CO -0.38 0.27 -0.31 0.78 0.23 0.00 0.00 176.91 177.50 1k1c h GLY 49 N 1.28 -0.90 0.00 1.39 0.00 -0.30 0.18 103.07 104.71 1k1c h GLY 49 Ca -0.00 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1k1c h GLY 49 CO 0.03 -0.33 0.00 -0.10 0.00 0.00 0.00 176.54 176.15 1k1c n LEU 50 N -5.30 0.05 -0.14 3.11 -0.00 -0.35 0.00 117.00 114.37 1k1c n LEU 50 Ca -0.11 0.69 -0.03 0.00 -0.00 0.00 0.00 56.01 56.57 1k1c n LEU 50 Cb 0.34 -0.49 0.19 0.00 -0.00 0.00 0.00 43.42 43.46 1k1c n LEU 50 CO 0.26 -0.49 0.99 -0.03 -0.00 0.00 0.00 177.39 178.13 1k1c h MET 51 N 0.00 0.85 0.00 1.96 4.05 0.27 0.35 114.93 122.41 1k1c h MET 51 Ca 0.00 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 1k1c h MET 51 Cb 0.00 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.67 1k1c h MET 51 CO 0.00 0.75 0.00 0.43 0.23 0.00 0.00 176.91 178.32 1k1c n SER 52 N -4.28 0.00 -0.05 1.39 7.64 -0.54 -4.40 113.62 113.37 1k1c n SER 52 Ca 0.04 0.28 -0.03 0.00 1.01 0.00 0.00 58.87 60.17 1k1c n SER 52 Cb 0.21 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 63.08 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 -1.18 -3.43 -0.00 -0.93 -3.36 115.31 106.41 1k1c h LEU 53 Ca 0.00 -0.19 0.33 0.00 -0.00 0.00 0.00 57.88 58.02 1k1c h LEU 53 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 40.53 1k1c h LEU 53 CO 0.00 0.61 0.66 0.00 -0.00 0.00 0.00 178.44 179.70 1k1c h ALA 54 N -0.81 2.18 0.00 1.53 0.00 -0.27 0.78 119.26 122.67 1k1c h ALA 54 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1k1c h ALA 54 Cb 0.21 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1k1c h ALA 54 CO -0.00 -0.74 0.00 1.55 0.00 0.00 0.00 179.25 180.06 1k1c n VAL 55 N -4.86 0.98 -1.92 0.00 3.14 0.12 -2.49 118.33 113.30 1k1c n VAL 55 Ca 0.31 0.24 -0.41 0.00 -2.96 0.00 0.00 64.34 61.52 1k1c n VAL 55 Cb 1.04 -1.13 -0.00 0.00 -1.06 0.00 0.00 33.84 32.68 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 -1.31 5.67 -4.68 6.55 7.64 0.27 -4.60 113.62 123.16 1k1c n SER 56 Ca 0.03 -2.94 -0.65 0.00 1.01 0.00 0.00 58.87 56.32 1k1c n SER 56 Cb 0.06 -1.54 -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 3.73 0.02 0.00 0.44 -1.04 -1.26 -0.58 114.28 115.60 1k1c n THR 57 Ca 0.53 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 1k1c n THR 57 Cb 0.33 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 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 3.32 1.01 3.78 3.41 0.00 0.11 -4.86 105.19 111.97 1k1c n GLY 58 Ca 0.28 0.00 -0.39 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 -2.24 4.42 -1.05 2.61 2.01 0.26 -4.46 115.64 117.20 1k1c s THR 59 Ca 0.00 1.63 -0.21 0.00 0.31 0.00 0.00 61.69 63.42 1k1c s THR 59 Cb 0.00 -4.10 0.08 0.00 0.01 0.00 0.00 72.50 68.49 1k1c s THR 59 CO 0.00 0.52 1.42 -1.61 -0.69 0.00 0.00 174.62 174.26 1k1c s GLU 60 N -1.17 3.67 -0.11 4.92 0.41 -1.25 0.05 118.70 125.23 1k1c s GLU 60 Ca 0.35 -1.45 -0.10 0.00 -0.41 0.00 0.00 54.97 53.36 1k1c s GLU 60 Cb -0.22 -5.27 -0.05 0.00 -1.78 0.00 0.00 34.13 26.81 1k1c s GLU 60 CO 0.25 -2.10 0.21 0.14 -0.49 0.00 0.00 175.26 173.27 1k1c s VAL 61 N 4.21 5.38 -0.18 2.63 -7.23 0.16 -0.32 120.40 125.05 1k1c s VAL 61 Ca 0.44 0.36 -0.24 0.00 -1.81 0.00 0.00 61.98 60.73 1k1c s VAL 61 Cb -0.01 -3.49 -0.02 0.00 0.56 0.00 0.00 36.38 33.42 1k1c s VAL 61 CO -0.07 0.57 0.79 -0.89 -0.31 0.00 0.00 175.10 175.19 1k1c s THR 62 N -0.72 4.91 -0.32 5.32 2.01 0.66 -0.56 115.64 126.93 1k1c s THR 62 Ca 0.16 1.54 -0.25 0.00 0.31 0.00 0.00 61.69 63.45 1k1c s THR 62 Cb -0.13 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.29 1k1c s THR 62 CO 0.05 0.04 0.87 -0.22 -0.69 0.00 0.00 174.62 174.67 1k1c s LEU 63 N 2.13 4.05 0.18 4.42 1.98 0.68 -0.20 118.68 131.92 1k1c s LEU 63 Ca 0.36 0.70 0.07 0.00 -2.89 0.00 0.00 54.13 52.37 1k1c s LEU 63 Cb -0.16 -3.20 -0.04 0.00 0.66 0.00 0.00 46.19 43.45 1k1c s LEU 63 CO 0.12 -0.72 0.04 -0.63 -1.89 0.00 0.00 176.35 173.26 1k1c s ILE 64 N 3.19 3.91 -0.12 6.68 1.01 0.76 -0.49 121.20 136.15 1k1c s ILE 64 Ca 0.36 -1.35 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 1k1c s ILE 64 Cb -0.13 -2.98 0.04 0.00 0.01 0.00 0.00 42.46 39.39 1k1c s ILE 64 CO 0.14 -0.12 0.30 0.00 0.00 0.00 0.00 174.94 175.26 1k1c s ALA 65 N -1.76 -0.74 -0.40 9.38 0.00 0.56 -0.44 121.76 128.35 1k1c s ALA 65 Ca 0.29 0.98 0.06 0.00 0.00 0.00 0.00 51.96 53.29 1k1c s ALA 65 Cb -0.09 -0.59 0.22 0.00 0.00 0.00 0.00 23.12 22.66 1k1c s ALA 65 CO 0.20 -0.17 0.45 0.94 0.00 0.00 0.00 175.76 177.18 1k1c n GLN 66 N 3.42 0.53 0.00 0.00 7.27 0.81 -0.86 117.38 128.56 1k1c n GLN 66 Ca -0.17 -3.22 0.00 0.00 0.07 0.00 0.00 57.00 53.67 1k1c n GLN 66 Cb 0.56 -1.40 0.00 0.00 2.41 0.00 0.00 30.24 31.81 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 1.95 2.54 0.36 1.69 0.00 -1.16 -0.67 105.19 109.90 1k1c n GLY 67 Ca 0.25 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 0.90 -2.15 1.61 4.39 -1.92 -1.02 114.58 116.39 1k1c h GLU 68 Ca 0.00 -0.05 -0.69 0.00 0.34 0.00 0.00 59.36 58.96 1k1c h GLU 68 Cb 0.00 -0.20 -0.35 0.00 -0.10 0.00 0.00 28.75 28.10 1k1c h GLU 68 CO 0.00 0.60 0.12 -0.25 -1.16 0.00 0.00 179.01 178.32 1k1c n ASP 69 N -4.63 5.86 0.00 1.42 9.92 -1.26 -4.91 116.55 122.95 1k1c n ASP 69 Ca 0.19 -3.71 0.00 0.00 -0.53 0.00 0.00 54.79 50.74 1k1c n ASP 69 Cb 0.40 -0.82 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 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 -0.21 -1.24 2.13 -0.39 0.02 120.64 120.70 1k1c n GLU 70 Ca 0.40 0.15 0.00 0.00 0.66 0.00 0.00 57.16 58.37 1k1c n GLU 70 Cb 0.36 -0.86 0.08 0.00 0.27 0.00 0.00 31.44 31.29 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 0.03 -0.53 5.31 1.08 -1.88 -0.68 115.11 118.43 1k1c h GLN 71 Ca 0.00 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.29 1k1c h GLN 71 Cb 0.00 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.35 1k1c h GLN 71 CO 0.00 0.02 0.14 1.49 -0.95 0.00 0.00 178.83 179.53 1k1c h GLU 72 N 0.03 0.28 0.41 1.46 4.57 -1.93 0.81 114.58 120.21 1k1c h GLU 72 Ca 0.31 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1k1c h GLU 72 Cb 0.49 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1k1c h GLU 72 CO -0.62 0.19 -0.20 0.00 -1.18 0.00 0.00 179.01 177.20 1k1c h ALA 73 N 1.40 -0.55 -0.61 2.92 0.00 0.47 -2.94 119.26 119.96 1k1c h ALA 73 Ca 0.27 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1k1c h ALA 73 Cb 0.35 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1k1c h ALA 73 CO -0.32 -0.59 0.25 1.37 0.00 0.00 0.00 179.25 179.96 1k1c h LEU 74 N -1.00 0.28 -0.40 0.00 8.10 -0.91 -2.55 115.31 118.83 1k1c h LEU 74 Ca -0.06 0.07 -0.01 0.00 0.11 0.00 0.00 57.88 57.99 1k1c h LEU 74 Cb 0.54 0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 40.78 1k1c h LEU 74 CO 0.09 0.17 0.20 1.05 -4.11 0.00 0.00 178.44 175.84 1k1c h GLU 75 N 0.45 0.57 -0.23 0.17 4.11 -0.93 -0.93 114.58 117.79 1k1c h GLU 75 Ca 0.30 -0.08 0.06 0.00 0.07 0.00 0.00 59.36 59.71 1k1c h GLU 75 Cb 0.34 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1k1c h GLU 75 CO -0.28 0.49 -0.16 0.87 0.07 0.00 0.00 179.01 180.00 1k1c h LYS 76 N 0.51 -0.14 0.06 1.06 1.57 -1.26 0.38 116.57 118.75 1k1c h LYS 76 Ca 0.14 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1k1c h LYS 76 Cb 0.09 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1k1c h LYS 76 CO -0.02 -0.10 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.67 1k1c h LEU 77 N -0.15 -0.06 -1.25 2.94 -0.00 -1.31 0.77 115.31 116.24 1k1c h LEU 77 Ca 0.13 -0.30 -0.02 0.00 -0.00 0.00 0.00 57.88 57.69 1k1c h LEU 77 Cb 0.35 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.00 1k1c h LEU 77 CO -0.32 0.27 0.22 0.00 -0.00 0.00 0.00 178.44 178.60 1k1c h ALA 78 N 0.51 1.41 0.21 1.53 0.00 -1.08 0.14 119.26 121.98 1k1c h ALA 78 Ca -0.01 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1k1c h ALA 78 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1k1c h ALA 78 CO 0.01 0.45 -0.23 0.00 0.00 0.00 0.00 179.25 179.48 1k1c h ALA 79 N 1.51 -0.45 -0.02 0.00 0.00 -0.71 -3.33 119.26 116.25 1k1c h ALA 79 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1k1c h ALA 79 Cb 0.12 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1k1c h ALA 79 CO -0.02 -0.79 0.00 0.98 0.00 0.00 0.00 179.25 179.42 1k1c n TYR 80 N -5.35 0.00 -0.60 0.00 9.36 0.25 -3.49 117.16 117.33 1k1c n TYR 80 Ca -0.08 0.00 0.46 0.00 3.32 0.00 0.00 57.90 61.61 1k1c n TYR 80 Cb 0.26 -0.50 0.73 0.00 -0.63 0.00 0.00 39.34 39.21 1k1c n TYR 80 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1k1c n VAL 81 N -1.99 -0.09 0.02 2.97 0.24 0.40 -0.92 118.33 118.96 1k1c n VAL 81 Ca 0.00 1.52 0.11 0.00 -2.04 0.00 0.00 64.34 63.93 1k1c n VAL 81 Cb 0.00 -2.52 -0.16 0.00 -1.47 0.00 0.00 33.84 29.68 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 -4.10 0.63 -0.33 7.34 10.64 -1.16 0.15 117.38 130.55 1k1c n GLN 82 Ca 0.41 -0.19 0.13 0.00 -1.83 0.00 0.00 57.00 55.52 1k1c n GLN 82 Cb 1.77 -1.51 0.31 0.00 -0.86 0.00 0.00 30.24 29.96 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 0.62 0.00 2.61 4.81 -1.06 -3.40 114.58 118.15 1k1c h GLU 83 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1k1c h GLU 83 Cb 0.96 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1k1c h GLU 83 CO 0.00 0.41 0.00 -0.85 -0.73 0.00 0.00 179.01 177.84 1k1c n GLU 84 N -4.86 0.00 0.00 1.92 0.28 -1.26 -5.13 120.64 111.59 1k1c n GLU 84 Ca 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 1k1c n GLU 84 Cb 0.60 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.47 1k1c n GLU 84 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25