#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 3.79 0.10 7.34 0.74 -1.26 -1.65 119.66 128.73 1k1c s GLN 3 Ca 0.00 -0.43 0.04 0.00 0.05 0.00 0.00 55.36 55.02 1k1c s GLN 3 Cb 0.00 -3.20 -0.04 0.00 1.10 0.00 0.00 33.01 30.87 1k1c s GLN 3 CO 0.00 0.09 -0.11 -1.14 -0.55 0.00 0.00 175.29 173.58 1k1c s GLN 4 N 0.86 0.87 0.06 1.67 -0.44 -1.26 -4.95 119.66 116.47 1k1c s GLN 4 Ca 0.03 -1.17 -0.11 0.00 -2.50 0.00 0.00 55.36 51.61 1k1c s GLN 4 Cb -0.14 -0.59 0.01 0.00 -1.64 0.00 0.00 33.01 30.65 1k1c s GLN 4 CO 0.02 0.09 0.23 -1.59 0.50 0.00 0.00 175.29 174.55 1k1c s LYS 5 N -2.77 0.79 0.00 1.67 0.00 -1.25 -0.90 119.74 117.29 1k1c s LYS 5 Ca 0.06 -0.70 0.02 0.00 0.00 0.00 0.00 55.97 55.35 1k1c s LYS 5 Cb -0.03 0.33 -0.01 0.00 0.00 0.00 0.00 37.83 38.12 1k1c s LYS 5 CO 0.00 -0.25 -0.07 0.14 0.00 0.00 0.00 175.35 175.17 1k1c s VAL 6 N -3.01 0.56 0.42 1.79 -7.23 0.39 -4.88 120.40 108.43 1k1c s VAL 6 Ca -0.02 -0.42 -0.07 0.00 -1.81 0.00 0.00 61.98 59.66 1k1c s VAL 6 Cb 0.01 -0.50 -0.05 0.00 0.56 0.00 0.00 36.38 36.40 1k1c s VAL 6 CO -0.06 0.08 0.74 -1.61 -0.31 0.00 0.00 175.10 173.93 1k1c s GLU 7 N -0.39 3.66 0.02 4.82 0.41 -1.26 -0.13 118.70 125.83 1k1c s GLU 7 Ca 0.01 0.28 -0.28 0.00 -0.41 0.00 0.00 54.97 54.57 1k1c s GLU 7 Cb -0.04 -2.43 0.07 0.00 -1.78 0.00 0.00 34.13 29.96 1k1c s GLU 7 CO -0.00 -0.06 0.68 0.14 -0.49 0.00 0.00 175.26 175.52 1k1c s VAL 8 N -2.48 0.00 -0.15 2.63 -7.23 -1.16 -4.87 120.40 107.15 1k1c s VAL 8 Ca 0.48 0.00 -0.23 0.00 -1.81 0.00 0.00 61.98 60.43 1k1c s VAL 8 Cb -0.10 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 1k1c s VAL 8 CO 0.37 0.00 0.71 -0.60 -0.31 0.00 0.00 175.10 175.26 1k1c s ARG 9 N -2.11 4.31 -1.01 4.82 3.00 -1.26 0.19 118.95 126.89 1k1c s ARG 9 Ca -0.06 0.82 -0.24 0.00 -1.00 0.00 0.00 55.73 55.24 1k1c s ARG 9 Cb -0.00 -3.53 -0.10 0.00 0.00 0.00 0.00 34.95 31.31 1k1c s ARG 9 CO 0.01 -0.16 2.04 -1.17 0.00 0.00 0.00 175.30 176.02 1k1c s LEU 10 N 1.61 2.96 0.27 -0.88 1.98 0.46 -3.82 118.68 121.25 1k1c s LEU 10 Ca 0.34 -0.96 0.11 0.00 -2.89 0.00 0.00 54.13 50.74 1k1c s LEU 10 Cb -0.17 -2.57 0.33 0.00 0.66 0.00 0.00 46.19 44.44 1k1c s LEU 10 CO 0.13 -3.35 1.59 0.50 -1.89 0.00 0.00 176.35 173.34 1k1c h LYS 11 N 11.00 0.00 0.38 1.98 3.11 -0.36 0.40 116.57 133.09 1k1c h LYS 11 Ca 0.11 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.93 1k1c h LYS 11 Cb 0.98 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.21 1k1c h LYS 11 CO 1.15 0.62 -0.18 1.79 -2.81 0.00 0.00 179.45 180.03 1k1c h THR 12 N 0.00 0.42 -2.15 1.00 1.35 -1.75 -3.44 112.91 108.34 1k1c h THR 12 Ca -0.01 -0.65 -0.15 0.00 -0.55 0.00 0.00 66.41 65.05 1k1c h THR 12 Cb 1.14 0.65 0.03 0.00 -1.73 0.00 0.00 68.15 68.24 1k1c h THR 12 CO 0.08 0.09 -0.23 0.61 -0.25 0.00 0.00 175.52 175.82 1k1c n GLY 13 N -0.01 0.27 4.16 5.82 0.00 -1.00 -4.24 105.19 110.18 1k1c n GLY 13 Ca -0.09 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.77 -0.40 -0.06 0.99 4.32 -1.14 -3.53 117.00 115.41 1k1c n LEU 14 Ca -0.03 -1.27 -0.05 0.00 -0.02 0.00 0.00 56.01 54.64 1k1c n LEU 14 Cb 0.54 -1.54 -0.02 0.00 -1.62 0.00 0.00 43.42 40.78 1k1c n LEU 14 CO 0.19 0.68 -0.38 0.00 -1.22 0.00 0.00 177.39 176.67 1k1c n GLN 15 N -4.82 0.35 0.00 3.23 1.13 -1.26 -4.47 117.38 111.55 1k1c n GLN 15 Ca -0.19 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1k1c n GLN 15 Cb 0.60 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.67 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 -3.60 1.98 0.15 -1.58 0.00 -1.26 -5.02 120.51 111.18 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 0.29 0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.95 0.00 -0.18 0.00 3.00 -1.26 -4.79 116.66 111.48 1k1c n ARG 17 Ca 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 57.85 58.14 1k1c n ARG 17 Cb 0.24 0.00 0.73 0.00 0.00 0.00 0.00 32.46 33.43 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 0.08 -0.14 0.13 -1.98 0.25 132.00 130.34 1k1c h PRO 18 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 1k1c h PRO 18 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1k1c h PRO 18 CO 0.00 0.00 -0.33 0.00 -0.23 0.00 0.00 178.00 177.44 1k1c h ALA 19 N 1.52 -0.53 0.00 -0.56 0.00 -1.91 0.21 119.26 118.00 1k1c h ALA 19 Ca 0.43 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 1k1c h ALA 19 Cb 1.76 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 20.09 1k1c h ALA 19 CO -0.00 -0.86 -0.47 0.00 0.00 0.00 0.00 179.25 177.91 1k1c h ALA 20 N 0.14 0.99 -0.22 0.00 0.00 -1.04 -2.26 119.26 116.88 1k1c h ALA 20 Ca 0.04 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.57 1k1c h ALA 20 Cb 0.58 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1k1c h ALA 20 CO -0.22 0.59 -0.14 1.25 0.00 0.00 0.00 179.25 180.74 1k1c h LEU 21 N 0.00 -0.44 -0.14 0.00 6.46 0.07 0.42 115.31 121.67 1k1c h LEU 21 Ca -0.00 0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.87 1k1c h LEU 21 Cb 0.98 0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 41.11 1k1c h LEU 21 CO 0.06 -0.17 -0.23 0.15 -0.62 0.00 0.00 178.44 177.63 1k1c h PHE 22 N -0.12 -0.71 -0.56 1.25 3.04 -0.29 0.62 116.94 120.17 1k1c h PHE 22 Ca 0.12 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.14 1k1c h PHE 22 Cb 0.31 0.33 -0.03 0.00 2.56 0.00 0.00 35.95 39.12 1k1c h PHE 22 CO -0.30 -0.21 0.37 -0.39 -2.02 0.00 0.00 178.31 175.76 1k1c h VAL 23 N -0.19 1.05 -0.07 1.41 -1.51 -0.93 -0.43 116.25 115.59 1k1c h VAL 23 Ca 0.03 -0.21 -0.21 0.00 -1.23 0.00 0.00 66.70 65.08 1k1c h VAL 23 Cb 0.26 0.38 0.01 0.00 -2.13 0.00 0.00 31.29 29.81 1k1c h VAL 23 CO -0.23 0.11 -0.77 0.06 -1.23 0.00 0.00 177.57 175.51 1k1c h GLN 24 N 0.62 0.64 -0.33 5.19 3.07 0.25 0.50 115.11 125.06 1k1c h GLN 24 Ca 0.23 -0.60 -0.13 0.00 0.09 0.00 0.00 58.65 58.24 1k1c h GLN 24 Cb 0.12 0.15 -0.01 0.00 0.08 0.00 0.00 27.48 27.83 1k1c h GLN 24 CO -0.06 1.21 -0.29 1.05 0.09 0.00 0.00 178.83 180.83 1k1c h GLU 25 N 0.29 0.77 0.17 0.06 4.11 -0.61 0.54 114.58 119.91 1k1c h GLU 25 Ca -0.08 -0.39 0.01 0.00 0.07 0.00 0.00 59.36 58.97 1k1c h GLU 25 Cb 1.42 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 1k1c h GLU 25 CO 0.15 1.02 -0.24 0.00 0.07 0.00 0.00 179.01 180.02 1k1c h ALA 26 N 0.74 -0.44 -0.86 1.06 0.00 -1.14 -2.92 119.26 115.70 1k1c h ALA 26 Ca 0.06 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.11 1k1c h ALA 26 Cb 0.86 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.90 1k1c h ALA 26 CO 0.07 -0.79 0.37 -0.97 0.00 0.00 0.00 179.25 177.94 1k1c h ASN 27 N -0.47 0.33 0.82 0.00 -0.73 0.35 -0.59 115.58 115.29 1k1c h ASN 27 Ca 0.02 0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.32 1k1c h ASN 27 Cb 0.47 0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.17 1k1c h ASN 27 CO -0.10 0.04 0.00 0.03 -0.37 0.00 0.00 177.43 177.03 1k1c h ARG 28 N 0.43 0.00 -6.73 6.67 2.47 0.28 -3.42 114.38 114.08 1k1c h ARG 28 Ca 0.52 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.74 1k1c h ARG 28 Cb 0.92 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.26 1k1c h ARG 28 CO -0.49 0.00 0.00 -0.06 0.56 0.00 0.00 179.97 179.98 1k1c s PHE 29 N -3.67 3.51 -0.05 3.04 0.08 -0.23 -4.97 117.98 115.70 1k1c s PHE 29 Ca 0.01 0.76 0.23 0.00 0.12 0.00 0.00 56.93 58.05 1k1c s PHE 29 Cb 0.09 -2.23 0.67 0.00 -0.57 0.00 0.00 43.02 40.99 1k1c s PHE 29 CO 0.49 -0.06 1.72 1.79 -0.10 0.00 0.00 175.22 179.06 1k1c h THR 30 N 0.82 0.45 -2.22 0.64 1.35 -1.82 -3.46 112.91 108.67 1k1c h THR 30 Ca -0.48 -1.27 -0.62 0.00 -0.55 0.00 0.00 66.41 63.49 1k1c h THR 30 Cb 1.20 1.93 0.10 0.00 -1.73 0.00 0.00 68.15 69.65 1k1c h THR 30 CO 0.63 0.21 0.13 -1.20 -0.25 0.00 0.00 175.52 175.04 1k1c n SER 31 N -3.26 1.14 -4.57 5.36 7.64 -1.26 -4.62 113.62 114.06 1k1c n SER 31 Ca 0.01 1.16 -0.30 0.00 1.01 0.00 0.00 58.87 60.76 1k1c n SER 31 Cb 0.50 -1.25 -0.05 0.00 -1.01 0.00 0.00 64.21 62.41 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 -0.42 5.41 0.18 6.43 1.01 0.02 -4.53 116.67 124.77 1k1c s ASP 32 Ca 0.63 -1.21 -0.30 0.00 0.71 0.00 0.00 52.55 52.38 1k1c s ASP 32 Cb -0.76 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 40.52 1k1c s ASP 32 CO 0.57 -2.57 1.21 -0.69 0.21 0.00 0.00 175.17 173.91 1k1c s VAL 33 N 9.26 3.54 0.09 -1.27 1.01 -1.26 -0.68 120.40 131.08 1k1c s VAL 33 Ca 0.65 1.29 0.03 0.00 0.00 0.00 0.00 61.98 63.95 1k1c s VAL 33 Cb -0.03 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1k1c s VAL 33 CO 0.03 0.20 -0.09 -0.36 0.00 0.00 0.00 175.10 174.88 1k1c s PHE 34 N -0.02 0.95 -0.06 5.22 0.08 0.46 0.15 117.98 124.77 1k1c s PHE 34 Ca 0.53 -0.69 0.02 0.00 0.12 0.00 0.00 56.93 56.91 1k1c s PHE 34 Cb -0.33 -0.53 0.01 0.00 -0.57 0.00 0.00 43.02 41.60 1k1c s PHE 34 CO 0.37 -0.05 -0.11 -1.17 -0.10 0.00 0.00 175.22 174.16 1k1c s LEU 35 N -2.46 1.59 -0.47 -0.37 2.96 0.75 -0.01 118.68 120.68 1k1c s LEU 35 Ca 0.05 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1k1c s LEU 35 Cb -0.02 -0.76 0.12 0.00 0.50 0.00 0.00 46.19 46.04 1k1c s LEU 35 CO -0.01 0.02 0.22 -1.61 -1.32 0.00 0.00 176.35 173.65 1k1c s GLU 36 N 0.70 1.96 -0.55 1.98 2.02 0.54 -0.07 118.70 125.28 1k1c s GLU 36 Ca -0.14 -2.22 -0.26 0.00 0.02 0.00 0.00 54.97 52.36 1k1c s GLU 36 Cb -0.16 -3.43 -0.05 0.00 0.10 0.00 0.00 34.13 30.59 1k1c s GLU 36 CO 0.03 -1.07 2.20 0.15 0.02 0.00 0.00 175.26 176.60 1k1c s LYS 37 N 0.40 2.28 -1.35 1.61 1.02 0.34 -0.25 119.74 123.80 1k1c s LYS 37 Ca 0.13 1.08 0.00 0.00 0.02 0.00 0.00 55.97 57.20 1k1c s LYS 37 Cb -0.22 -4.52 0.00 0.00 -0.52 0.00 0.00 37.83 32.57 1k1c s LYS 37 CO -0.04 -3.11 0.00 -0.25 -0.92 0.00 0.00 175.35 171.03 1k1c n ASP 38 N 14.80 -4.71 0.00 2.83 8.00 0.63 -0.66 116.55 137.44 1k1c n ASP 38 Ca 0.31 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1k1c n ASP 38 Cb 0.54 -3.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.67 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 -0.89 2.69 3.58 0.44 0.00 -0.39 -5.01 105.19 105.60 1k1c n GLY 39 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.51 3.47 0.33 1.61 1.02 0.16 -4.79 119.74 121.03 1k1c s LYS 40 Ca 0.00 -1.57 -0.24 0.00 0.02 0.00 0.00 55.97 54.18 1k1c s LYS 40 Cb 0.00 -5.41 -0.10 0.00 -0.52 0.00 0.00 37.83 31.80 1k1c s LYS 40 CO 0.00 -2.76 0.92 0.21 -0.92 0.00 0.00 175.35 172.80 1k1c s LYS 41 N 5.06 4.48 0.27 1.68 2.36 -1.22 -0.50 119.74 131.87 1k1c s LYS 41 Ca 0.57 1.23 -0.08 0.00 -2.55 0.00 0.00 55.97 55.14 1k1c s LYS 41 Cb 0.02 -2.71 -0.00 0.00 -1.05 0.00 0.00 37.83 34.08 1k1c s LYS 41 CO 0.06 0.24 0.45 0.14 1.55 0.00 0.00 175.35 177.79 1k1c s VAL 42 N -1.70 0.00 -0.76 4.02 -7.23 0.89 -4.89 120.40 110.74 1k1c s VAL 42 Ca 0.51 -1.52 -0.26 0.00 -1.81 0.00 0.00 61.98 58.90 1k1c s VAL 42 Cb -0.17 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 1k1c s VAL 42 CO 0.22 0.00 1.78 0.21 -0.31 0.00 0.00 175.10 177.00 1k1c s ASN 43 N -3.10 5.45 0.28 4.85 3.04 -1.26 -0.18 114.94 124.02 1k1c s ASN 43 Ca 0.27 -0.24 0.02 0.00 0.04 0.00 0.00 52.86 52.94 1k1c s ASN 43 Cb 0.00 -2.55 0.66 0.00 -1.54 0.00 0.00 41.25 37.83 1k1c s ASN 43 CO 0.13 -2.35 1.69 0.00 -3.04 0.00 0.00 177.10 173.52 1k1c h ALA 44 N 12.73 1.30 0.00 1.71 0.00 -0.51 0.12 119.26 134.61 1k1c h ALA 44 Ca -0.11 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1k1c h ALA 44 Cb 1.09 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1k1c h ALA 44 CO 1.24 -0.35 -0.31 1.57 0.00 0.00 0.00 179.25 181.39 1k1c h LYS 45 N 0.35 0.00 0.00 0.00 2.10 -1.76 -3.26 116.57 114.00 1k1c h LYS 45 Ca 0.53 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 59.01 1k1c h LYS 45 Cb 0.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1k1c h LYS 45 CO -0.54 0.31 -0.04 0.45 -2.00 0.00 0.00 179.45 177.63 1k1c n SER 46 N -3.29 0.92 -0.27 7.07 2.88 0.19 -4.67 113.62 116.44 1k1c n SER 46 Ca 0.01 -1.53 0.01 0.00 -1.33 0.00 0.00 58.87 56.03 1k1c n SER 46 Cb 0.57 -0.10 0.08 0.00 -0.75 0.00 0.00 64.21 64.00 1k1c n SER 46 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1k1c h ILE 47 N 0.17 0.19 -0.05 2.46 -0.00 -1.89 0.20 117.51 118.58 1k1c h ILE 47 Ca -0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 64.86 64.68 1k1c h ILE 47 Cb 0.41 0.19 -0.01 0.00 -0.00 0.00 0.00 36.82 37.40 1k1c h ILE 47 CO 0.14 0.00 -0.36 -0.03 -0.00 0.00 0.00 178.15 177.90 1k1c h MET 48 N -0.02 0.10 0.24 2.19 4.05 -1.94 0.79 114.93 120.33 1k1c h MET 48 Ca 0.36 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.73 1k1c h MET 48 Cb 0.58 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1k1c h MET 48 CO -0.81 0.45 -0.11 0.78 0.23 0.00 0.00 176.91 177.44 1k1c h GLY 49 N 1.11 -0.33 0.00 1.39 0.00 0.12 -0.49 103.07 104.88 1k1c h GLY 49 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1k1c h GLY 49 CO 0.05 -0.12 0.00 -0.10 0.00 0.00 0.00 176.54 176.37 1k1c n LEU 50 N -4.67 0.00 -0.13 3.11 0.00 0.60 0.46 117.00 116.37 1k1c n LEU 50 Ca -0.04 0.85 -0.12 0.00 0.00 0.00 0.00 56.01 56.70 1k1c n LEU 50 Cb 0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 43.42 43.18 1k1c n LEU 50 CO 0.10 -0.35 0.68 -0.03 0.00 0.00 0.00 177.39 177.78 1k1c h MET 51 N 0.00 0.80 0.00 1.96 4.05 0.33 0.11 114.93 122.18 1k1c h MET 51 Ca 0.00 -0.34 0.00 0.00 -0.28 0.00 0.00 59.70 59.08 1k1c h MET 51 Cb 0.00 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1k1c h MET 51 CO 0.00 0.96 0.00 0.43 0.23 0.00 0.00 176.91 178.53 1k1c n SER 52 N -4.28 0.00 0.00 1.39 7.64 -0.35 -4.59 113.62 113.43 1k1c n SER 52 Ca -0.02 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1k1c n SER 52 Cb 0.40 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1k1c n SER 52 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1k1c n LEU 53 N -1.96 1.19 -0.41 -3.43 7.99 -0.21 -4.41 117.00 115.75 1k1c n LEU 53 Ca 0.00 0.27 0.34 0.00 -0.01 0.00 0.00 56.01 56.60 1k1c n LEU 53 Cb 0.00 -0.29 0.62 0.00 -0.11 0.00 0.00 43.42 43.65 1k1c n LEU 53 CO 0.00 -0.29 1.24 0.00 -1.51 0.00 0.00 177.39 176.84 1k1c h ALA 54 N -2.00 2.65 0.00 -1.18 0.00 -0.11 0.72 119.26 119.34 1k1c h ALA 54 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1k1c h ALA 54 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1k1c h ALA 54 CO 0.00 -1.21 0.06 -0.24 0.00 0.00 0.00 179.25 177.86 1k1c h VAL 55 N 0.16 0.00 -0.10 0.00 3.04 -0.81 -3.03 116.25 115.51 1k1c h VAL 55 Ca 0.75 0.00 -0.70 0.00 -1.01 0.00 0.00 66.70 65.74 1k1c h VAL 55 Cb 2.32 0.52 -0.03 0.00 -2.01 0.00 0.00 31.29 32.09 1k1c h VAL 55 CO -0.36 0.00 3.25 -1.20 -1.01 0.00 0.00 177.57 178.25 1k1c n SER 56 N -2.36 5.26 -4.19 3.17 7.64 0.24 -4.51 113.62 118.88 1k1c n SER 56 Ca -0.02 -2.79 -0.59 0.00 1.01 0.00 0.00 58.87 56.48 1k1c n SER 56 Cb 0.10 -1.62 -0.11 0.00 -1.01 0.00 0.00 64.21 61.57 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 4.55 0.00 0.00 0.44 -1.04 -1.24 -0.50 114.28 116.49 1k1c n THR 57 Ca 0.58 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 1k1c n THR 57 Cb 0.35 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 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 5.95 1.38 3.71 3.41 0.00 0.14 -4.94 105.19 114.84 1k1c n GLY 58 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.09 4.64 -0.65 2.61 2.01 0.35 -4.50 115.64 117.99 1k1c s THR 59 Ca 0.00 1.89 -0.27 0.00 0.31 0.00 0.00 61.69 63.62 1k1c s THR 59 Cb 0.00 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.31 1k1c s THR 59 CO 0.00 0.14 1.50 -1.61 -0.69 0.00 0.00 174.62 173.96 1k1c s GLU 60 N 1.05 3.04 -0.06 4.92 2.02 -1.25 -0.41 118.70 128.01 1k1c s GLU 60 Ca 0.54 0.20 0.06 0.00 0.02 0.00 0.00 54.97 55.79 1k1c s GLU 60 Cb -0.23 -4.23 -0.01 0.00 0.10 0.00 0.00 34.13 29.76 1k1c s GLU 60 CO 0.28 -2.28 -0.25 0.14 0.02 0.00 0.00 175.26 173.17 1k1c s VAL 61 N 6.87 2.04 -0.16 2.63 -7.23 0.13 -0.26 120.40 124.42 1k1c s VAL 61 Ca 0.50 -1.05 -0.29 0.00 -1.81 0.00 0.00 61.98 59.32 1k1c s VAL 61 Cb -0.10 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 1k1c s VAL 61 CO 0.19 0.57 1.25 -0.89 -0.31 0.00 0.00 175.10 175.91 1k1c s THR 62 N -0.10 4.30 -0.55 5.32 2.01 0.66 -2.98 115.64 124.30 1k1c s THR 62 Ca -0.06 1.57 -0.23 0.00 0.31 0.00 0.00 61.69 63.29 1k1c s THR 62 Cb -0.14 -4.01 0.05 0.00 0.01 0.00 0.00 72.50 68.40 1k1c s THR 62 CO 0.04 -0.13 0.88 -0.76 -0.69 0.00 0.00 174.62 173.97 1k1c s LEU 63 N 3.39 4.30 0.11 4.42 2.01 0.81 -0.34 118.68 133.37 1k1c s LEU 63 Ca 0.54 -0.52 0.03 0.00 0.01 0.00 0.00 54.13 54.20 1k1c s LEU 63 Cb -0.22 -2.72 -0.04 0.00 0.01 0.00 0.00 46.19 43.23 1k1c s LEU 63 CO 0.15 -1.18 0.12 -0.63 1.01 0.00 0.00 176.35 175.82 1k1c s ILE 64 N 3.70 4.66 -0.38 -0.59 1.01 0.98 -0.46 121.20 130.11 1k1c s ILE 64 Ca 0.27 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.13 1k1c s ILE 64 Cb -0.14 -3.30 0.16 0.00 0.01 0.00 0.00 42.46 39.18 1k1c s ILE 64 CO 0.17 0.04 0.33 0.00 0.00 0.00 0.00 174.94 175.49 1k1c s ALA 65 N -1.53 0.38 -1.30 9.38 0.00 -0.08 -0.40 121.76 128.20 1k1c s ALA 65 Ca 0.31 -1.62 -0.13 0.00 0.00 0.00 0.00 51.96 50.52 1k1c s ALA 65 Cb -0.12 -1.83 0.12 0.00 0.00 0.00 0.00 23.12 21.30 1k1c s ALA 65 CO 0.23 -2.10 1.81 0.00 0.00 0.00 0.00 175.76 175.71 1k1c n GLN 66 N 3.73 3.31 -0.08 0.00 10.64 0.14 -3.60 117.38 131.53 1k1c n GLN 66 Ca 0.17 -3.37 0.00 0.00 -1.83 0.00 0.00 57.00 51.97 1k1c n GLN 66 Cb 0.44 -3.14 0.00 0.00 -0.86 0.00 0.00 30.24 26.68 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 3.90 3.56 0.23 2.61 0.00 -0.66 -0.80 105.19 114.03 1k1c n GLY 67 Ca 0.43 -0.96 0.16 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -0.34 1.61 4.39 -1.88 -0.04 114.58 118.32 1k1c h GLU 68 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1k1c h GLU 68 Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1k1c h GLU 68 CO 0.00 0.00 0.01 -0.25 -1.16 0.00 0.00 179.01 177.61 1k1c n ASP 69 N -2.82 3.43 0.00 1.42 9.92 -1.26 -4.94 116.55 122.29 1k1c n ASP 69 Ca 0.01 -3.32 0.00 0.00 -0.53 0.00 0.00 54.79 50.95 1k1c n ASP 69 Cb 0.28 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 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 -0.74 0.00 -0.34 -1.24 2.13 -0.03 0.02 120.64 120.44 1k1c n GLU 70 Ca 0.28 0.10 0.18 0.00 0.66 0.00 0.00 57.16 58.38 1k1c n GLU 70 Cb 1.00 -0.42 0.40 0.00 0.27 0.00 0.00 31.44 32.69 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 0.55 0.52 5.31 5.75 -1.86 0.51 115.11 125.90 1k1c h GLN 71 Ca 0.00 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1k1c h GLN 71 Cb 0.00 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 1k1c h GLN 71 CO 0.00 0.36 -0.35 1.49 -2.65 0.00 0.00 178.83 177.69 1k1c h GLU 72 N 0.56 -0.81 0.03 1.69 4.57 -1.40 0.11 114.58 119.34 1k1c h GLU 72 Ca 0.63 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.87 1k1c h GLU 72 Cb 1.25 0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 30.02 1k1c h GLU 72 CO -0.43 -0.54 -0.03 0.00 -1.18 0.00 0.00 179.01 176.83 1k1c h ALA 73 N -0.45 -0.06 -0.49 2.92 0.00 0.11 -0.98 119.26 120.31 1k1c h ALA 73 Ca -0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1k1c h ALA 73 Cb 0.69 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1k1c h ALA 73 CO 0.04 -0.54 -0.12 1.37 0.00 0.00 0.00 179.25 180.01 1k1c h LEU 74 N -0.07 0.95 -0.30 0.00 8.10 -0.93 -2.59 115.31 120.46 1k1c h LEU 74 Ca 0.00 -0.36 -0.06 0.00 0.11 0.00 0.00 57.88 57.58 1k1c h LEU 74 Cb 0.07 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.02 1k1c h LEU 74 CO -0.01 1.09 -0.04 1.05 -4.11 0.00 0.00 178.44 176.43 1k1c h GLU 75 N 0.80 0.56 -0.79 0.17 -0.00 -0.61 0.64 114.58 115.35 1k1c h GLU 75 Ca 0.12 -0.20 0.08 0.00 -0.00 0.00 0.00 59.36 59.37 1k1c h GLU 75 Cb 0.68 -0.04 -0.07 0.00 -0.00 0.00 0.00 28.75 29.32 1k1c h GLU 75 CO 0.05 0.73 0.46 1.57 -0.00 0.00 0.00 179.01 181.81 1k1c h LYS 76 N 0.34 0.78 0.64 1.06 2.10 -1.16 0.10 116.57 120.43 1k1c h LYS 76 Ca 0.08 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.65 1k1c h LYS 76 Cb 0.50 -0.18 0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1k1c h LYS 76 CO 0.02 0.51 -0.31 -0.07 -2.00 0.00 0.00 179.45 177.61 1k1c h LEU 77 N 0.80 -0.72 -2.31 7.07 -0.00 -1.21 0.13 115.31 119.07 1k1c h LEU 77 Ca 0.37 0.02 0.03 0.00 -0.00 0.00 0.00 57.88 58.30 1k1c h LEU 77 Cb 0.28 0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1k1c h LEU 77 CO -0.22 -0.45 0.10 0.00 -0.00 0.00 0.00 178.44 177.88 1k1c h ALA 78 N -1.47 1.72 0.37 1.53 0.00 -0.69 0.15 119.26 120.87 1k1c h ALA 78 Ca -0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1k1c h ALA 78 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1k1c h ALA 78 CO 0.14 -0.15 -0.18 0.00 0.00 0.00 0.00 179.25 179.06 1k1c h ALA 79 N 1.89 -0.50 0.00 0.00 0.00 -0.70 -3.37 119.26 116.59 1k1c h ALA 79 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1k1c h ALA 79 Cb 0.25 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1k1c h ALA 79 CO -0.00 -0.51 -0.03 -0.92 0.00 0.00 0.00 179.25 177.79 1k1c h TYR 80 N -1.05 -0.07 -1.33 0.00 3.20 0.88 -0.93 116.97 117.67 1k1c h TYR 80 Ca -0.05 0.00 0.47 0.00 3.14 0.00 0.00 58.73 62.29 1k1c h TYR 80 Cb 0.49 0.03 -0.14 0.00 1.54 0.00 0.00 36.73 38.65 1k1c h TYR 80 CO 0.02 -0.05 0.84 -0.39 -1.64 0.00 0.00 178.16 176.95 1k1c h VAL 81 N -0.05 0.02 0.00 1.81 -1.51 -0.96 -3.09 116.25 112.47 1k1c h VAL 81 Ca 0.01 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 1k1c h VAL 81 Cb 0.07 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.23 1k1c h VAL 81 CO -0.03 0.00 -0.37 0.00 -1.23 0.00 0.00 177.57 175.95 1k1c n GLN 82 N -4.79 3.32 -0.07 5.19 10.64 -1.03 0.39 117.38 131.04 1k1c n GLN 82 Ca 0.40 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.57 1k1c n GLN 82 Cb 1.52 -0.62 0.00 0.00 -0.86 0.00 0.00 30.24 30.28 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 -0.90 0.65 0.00 2.61 0.28 -0.38 -4.71 120.64 118.19 1k1c n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1k1c n GLU 83 Cb 0.00 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 31.70 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 0.88 0.00 0.00 3.44 0.28 -1.26 -5.04 120.64 118.94 1k1c n GLU 84 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1k1c n GLU 84 Cb 0.33 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.20 1k1c n GLU 84 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25