#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 0.78 0.18 7.34 0.00 -1.26 -0.93 119.66 125.77 1k1c s GLN 3 Ca 0.00 -1.02 -0.08 0.00 -0.00 0.00 0.00 55.36 54.27 1k1c s GLN 3 Cb 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 33.01 33.30 1k1c s GLN 3 CO 0.00 -0.22 0.27 -1.14 0.00 0.00 0.00 175.29 174.19 1k1c s GLN 4 N -3.84 1.19 -0.00 9.60 0.74 -1.23 -4.96 119.66 121.16 1k1c s GLN 4 Ca 0.05 -1.27 -0.11 0.00 0.05 0.00 0.00 55.36 54.08 1k1c s GLN 4 Cb 0.05 0.36 0.01 0.00 1.10 0.00 0.00 33.01 34.54 1k1c s GLN 4 CO -0.11 -0.43 0.23 -1.59 -0.55 0.00 0.00 175.29 172.84 1k1c s LYS 5 N -4.01 0.60 -0.16 1.67 0.00 -1.25 -1.27 119.74 115.32 1k1c s LYS 5 Ca 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 55.97 55.83 1k1c s LYS 5 Cb 0.04 0.26 -0.02 0.00 0.00 0.00 0.00 37.83 38.11 1k1c s LYS 5 CO 0.03 -0.16 -0.08 0.08 0.00 0.00 0.00 175.35 175.22 1k1c s VAL 6 N -1.50 3.42 0.42 1.79 1.01 0.28 -4.81 120.40 121.01 1k1c s VAL 6 Ca -0.13 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 1k1c s VAL 6 Cb -0.06 -2.49 -0.09 0.00 0.00 0.00 0.00 36.38 33.75 1k1c s VAL 6 CO 0.02 0.49 0.88 -0.70 0.00 0.00 0.00 175.10 175.79 1k1c s GLU 7 N 0.59 4.04 -0.06 2.72 2.12 -1.26 -0.32 118.70 126.52 1k1c s GLU 7 Ca -0.05 0.87 -0.07 0.00 0.36 0.00 0.00 54.97 56.08 1k1c s GLU 7 Cb -0.15 -2.27 0.02 0.00 0.26 0.00 0.00 34.13 31.99 1k1c s GLU 7 CO 0.03 -0.04 0.19 0.14 -0.54 0.00 0.00 175.26 175.04 1k1c s VAL 8 N -2.26 0.01 -0.31 3.70 -7.23 0.29 -4.90 120.40 109.69 1k1c s VAL 8 Ca 0.58 -0.07 -0.29 0.00 -1.81 0.00 0.00 61.98 60.39 1k1c s VAL 8 Cb -0.10 -0.29 0.01 0.00 0.56 0.00 0.00 36.38 36.56 1k1c s VAL 8 CO 0.21 -0.04 1.23 -0.60 -0.31 0.00 0.00 175.10 175.59 1k1c s ARG 9 N -0.05 3.96 -0.25 4.82 3.52 -1.26 0.24 118.95 129.93 1k1c s ARG 9 Ca -0.02 1.18 -0.21 0.00 -0.13 0.00 0.00 55.73 56.55 1k1c s ARG 9 Cb -0.02 -3.84 -0.24 0.00 -1.56 0.00 0.00 34.95 29.29 1k1c s ARG 9 CO 0.00 -1.05 1.45 -0.11 -0.81 0.00 0.00 175.30 174.78 1k1c n LEU 10 N 7.38 0.42 -0.10 -0.88 7.94 0.45 -4.00 117.00 128.22 1k1c n LEU 10 Ca 0.14 -1.52 -0.14 0.00 -1.11 0.00 0.00 56.01 53.37 1k1c n LEU 10 Cb 0.47 -0.69 -0.04 0.00 0.53 0.00 0.00 43.42 43.69 1k1c n LEU 10 CO 0.62 -2.16 0.49 0.50 -1.11 0.00 0.00 177.39 175.72 1k1c h LYS 11 N 9.72 0.89 -0.65 1.96 3.11 -1.51 0.28 116.57 130.37 1k1c h LYS 11 Ca 0.13 -0.52 0.09 0.00 -2.81 0.00 0.00 60.65 57.54 1k1c h LYS 11 Cb 0.76 0.04 -0.07 0.00 -1.00 0.00 0.00 32.23 31.96 1k1c h LYS 11 CO 1.42 1.16 0.29 1.15 -2.81 0.00 0.00 179.45 180.66 1k1c h THR 12 N 0.68 0.82 -3.59 1.00 2.02 -1.24 -3.44 112.91 109.16 1k1c h THR 12 Ca 0.03 -0.17 -0.26 0.00 0.77 0.00 0.00 66.41 66.78 1k1c h THR 12 Cb 1.07 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1k1c h THR 12 CO 0.11 0.09 -0.33 0.61 0.37 0.00 0.00 175.52 176.37 1k1c n GLY 13 N -1.29 -0.38 3.89 2.16 0.00 -0.87 -3.56 105.19 105.14 1k1c n GLY 13 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.76 -0.85 -0.03 0.99 7.99 -0.62 -3.68 117.00 118.04 1k1c n LEU 14 Ca -0.15 -1.07 -0.03 0.00 -0.01 0.00 0.00 56.01 54.75 1k1c n LEU 14 Cb 0.61 -1.46 -0.01 0.00 -0.11 0.00 0.00 43.42 42.44 1k1c n LEU 14 CO 0.18 0.59 -0.20 0.00 -1.51 0.00 0.00 177.39 176.44 1k1c n GLN 15 N -3.67 0.21 0.00 3.23 6.02 -1.23 -4.36 117.38 117.57 1k1c n GLN 15 Ca -0.20 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1k1c n GLN 15 Cb 0.58 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.79 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 -3.04 0.00 -0.69 -1.58 0.00 -1.26 -4.98 120.51 108.96 1k1c n ALA 16 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1k1c n ALA 16 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 0.00 -0.33 0.00 3.00 -1.26 -4.64 116.66 113.43 1k1c n ARG 17 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.85 57.91 1k1c n ARG 17 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 32.46 32.73 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 0.93 -0.29 5.56 0.13 -1.98 0.13 132.00 136.48 1k1c h PRO 18 Ca 0.00 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 65.13 1k1c h PRO 18 Cb 0.00 -0.21 -0.05 0.00 0.13 0.00 0.00 31.00 30.87 1k1c h PRO 18 CO 0.00 0.61 -0.06 0.00 -0.23 0.00 0.00 178.00 178.32 1k1c h ALA 19 N 1.54 0.20 -0.50 -0.56 0.00 -1.89 0.56 119.26 118.61 1k1c h ALA 19 Ca 0.46 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.47 1k1c h ALA 19 Cb 0.44 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1k1c h ALA 19 CO -0.22 -0.46 0.30 0.00 0.00 0.00 0.00 179.25 178.87 1k1c h ALA 20 N 1.29 0.64 -0.99 0.00 0.00 -1.42 0.75 119.26 119.53 1k1c h ALA 20 Ca 0.14 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1k1c h ALA 20 Cb 0.21 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1k1c h ALA 20 CO -0.29 0.14 0.65 1.25 0.00 0.00 0.00 179.25 180.99 1k1c h LEU 21 N 0.67 1.07 0.90 0.00 6.46 -0.34 0.56 115.31 124.63 1k1c h LEU 21 Ca 0.18 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 1k1c h LEU 21 Cb -0.00 -0.24 0.01 0.00 -0.73 0.00 0.00 40.66 39.70 1k1c h LEU 21 CO -0.03 0.72 -0.46 0.15 -0.62 0.00 0.00 178.44 178.19 1k1c h PHE 22 N 1.23 -1.22 -0.68 1.25 3.57 0.12 0.32 116.94 121.54 1k1c h PHE 22 Ca 0.40 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 62.03 1k1c h PHE 22 Cb 0.05 0.41 -0.11 0.00 2.79 0.00 0.00 35.95 39.09 1k1c h PHE 22 CO -0.00 -0.73 0.09 0.28 -2.23 0.00 0.00 178.31 175.71 1k1c h VAL 23 N -1.25 0.49 -0.69 1.41 2.07 -0.63 0.11 116.25 117.77 1k1c h VAL 23 Ca -0.12 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1k1c h VAL 23 Cb 0.97 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1k1c h VAL 23 CO 0.18 0.03 0.43 -0.61 0.02 0.00 0.00 177.57 177.63 1k1c h GLN 24 N 0.19 0.82 0.11 1.57 -0.00 -0.45 0.15 115.11 117.49 1k1c h GLN 24 Ca 0.37 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.97 1k1c h GLN 24 Cb 0.62 -0.18 0.00 0.00 0.00 0.00 0.00 27.48 27.92 1k1c h GLN 24 CO -0.53 0.54 -0.05 0.93 0.00 0.00 0.00 178.83 179.72 1k1c h GLU 25 N 0.84 -0.15 -0.83 1.69 4.39 0.13 0.52 114.58 121.17 1k1c h GLU 25 Ca 0.28 0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.11 1k1c h GLU 25 Cb 0.02 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.62 1k1c h GLU 25 CO -0.11 0.30 0.44 0.00 -1.16 0.00 0.00 179.01 178.48 1k1c h ALA 26 N 0.10 1.23 -0.53 3.43 0.00 -0.85 0.45 119.26 123.10 1k1c h ALA 26 Ca -0.02 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1k1c h ALA 26 Cb 0.51 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1k1c h ALA 26 CO 0.03 -0.03 0.34 -0.91 0.00 0.00 0.00 179.25 178.68 1k1c h ASN 27 N 0.67 0.58 0.00 0.00 2.35 -0.57 -3.33 115.58 115.29 1k1c h ASN 27 Ca 0.44 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 1k1c h ASN 27 Cb 0.54 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1k1c h ASN 27 CO -0.32 0.42 0.00 0.54 -1.65 0.00 0.00 177.43 176.42 1k1c n ARG 28 N -4.74 0.27 0.00 0.81 5.12 0.18 -3.91 116.66 114.40 1k1c n ARG 28 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1k1c n ARG 28 Cb 0.03 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 1k1c n ARG 28 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1k1c n PHE 29 N 0.61 0.00 0.13 -1.55 3.72 -1.25 -5.00 117.46 114.11 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 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 -0.65 4.37 -2.24 -1.25 -4.94 114.28 109.56 1k1c n THR 30 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 1k1c n THR 30 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 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 -3.02 -0.27 -4.57 3.42 7.64 -1.26 -4.82 113.62 110.74 1k1c n SER 31 Ca 0.00 0.51 -0.40 0.00 1.01 0.00 0.00 58.87 60.00 1k1c n SER 31 Cb 0.00 -0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 62.76 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 -0.21 6.41 0.76 6.43 2.15 0.06 -4.53 116.67 127.74 1k1c s ASP 32 Ca 0.35 -1.88 -0.11 0.00 0.43 0.00 0.00 52.55 51.34 1k1c s ASP 32 Cb -0.50 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 39.60 1k1c s ASP 32 CO 0.25 -1.60 1.08 0.68 -0.17 0.00 0.00 175.17 175.41 1k1c s VAL 33 N 5.62 3.43 0.26 1.11 -7.23 -1.26 -0.65 120.40 121.68 1k1c s VAL 33 Ca 0.54 0.46 -0.07 0.00 -1.81 0.00 0.00 61.98 61.10 1k1c s VAL 33 Cb 0.01 -3.16 -0.01 0.00 0.56 0.00 0.00 36.38 33.78 1k1c s VAL 33 CO 0.01 -0.61 0.37 -0.36 -0.31 0.00 0.00 175.10 174.21 1k1c s PHE 34 N -3.07 0.78 -0.18 2.82 0.08 0.71 -0.22 117.98 118.89 1k1c s PHE 34 Ca 0.60 -1.06 -0.05 0.00 0.12 0.00 0.00 56.93 56.54 1k1c s PHE 34 Cb -0.15 -0.11 0.09 0.00 -0.57 0.00 0.00 43.02 42.28 1k1c s PHE 34 CO 0.55 -0.92 0.32 -1.17 -0.10 0.00 0.00 175.22 173.89 1k1c s LEU 35 N -3.12 -0.42 -0.63 -0.37 2.96 0.81 -0.12 118.68 117.79 1k1c s LEU 35 Ca 0.29 0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 54.60 1k1c s LEU 35 Cb 0.02 0.88 0.16 0.00 0.50 0.00 0.00 46.19 47.75 1k1c s LEU 35 CO 0.13 -0.27 0.47 -1.61 -1.32 0.00 0.00 176.35 173.76 1k1c s GLU 36 N 2.47 2.72 -0.83 1.98 2.02 0.93 -0.36 118.70 127.63 1k1c s GLU 36 Ca 0.04 -2.35 -0.25 0.00 0.02 0.00 0.00 54.97 52.43 1k1c s GLU 36 Cb -0.13 -3.89 -0.16 0.00 0.10 0.00 0.00 34.13 30.05 1k1c s GLU 36 CO -0.12 -1.19 2.37 1.63 0.02 0.00 0.00 175.26 177.97 1k1c n LYS 37 N 3.88 0.48 -3.01 1.61 5.02 0.49 -0.34 118.16 126.29 1k1c n LYS 37 Ca 0.06 -0.93 -0.19 0.00 -2.02 0.00 0.00 58.31 55.23 1k1c n LYS 37 Cb 0.40 -3.64 -0.00 0.00 -0.02 0.00 0.00 35.03 31.78 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 18.47 -3.97 0.00 4.39 8.00 0.85 -0.67 116.55 143.62 1k1c n ASP 38 Ca 0.47 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1k1c n ASP 38 Cb 0.43 -3.30 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 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 -1.08 1.35 3.18 0.44 0.00 -0.68 -5.02 105.19 103.39 1k1c n GLY 39 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.09 2.37 -3.18 1.61 4.76 0.16 -4.82 118.16 118.97 1k1c n LYS 40 Ca 0.00 -2.55 -0.37 0.00 -2.87 0.00 0.00 58.31 52.52 1k1c n LYS 40 Cb 0.00 -3.32 -0.06 0.00 -1.84 0.00 0.00 35.03 29.81 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 4.48 4.22 0.16 1.97 2.36 -1.23 -0.38 119.74 131.33 1k1c s LYS 41 Ca 0.55 0.80 -0.02 0.00 -2.55 0.00 0.00 55.97 54.75 1k1c s LYS 41 Cb 0.09 -3.03 -0.04 0.00 -1.05 0.00 0.00 37.83 33.81 1k1c s LYS 41 CO 0.04 0.49 0.11 0.14 1.55 0.00 0.00 175.35 177.69 1k1c s VAL 42 N -1.36 0.06 -0.39 4.02 -7.23 0.51 -4.87 120.40 111.14 1k1c s VAL 42 Ca 0.38 -1.90 -0.27 0.00 -1.81 0.00 0.00 61.98 58.37 1k1c s VAL 42 Cb -0.18 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1k1c s VAL 42 CO 0.21 -0.26 2.02 0.21 -0.31 0.00 0.00 175.10 176.97 1k1c s ASN 43 N -3.09 5.40 -0.39 4.85 3.04 -1.26 -0.14 114.94 123.36 1k1c s ASN 43 Ca 0.29 1.21 -0.03 0.00 0.04 0.00 0.00 52.86 54.38 1k1c s ASN 43 Cb 0.07 -2.52 -0.05 0.00 -1.54 0.00 0.00 41.25 37.21 1k1c s ASN 43 CO 0.06 -2.11 1.63 0.00 -3.04 0.00 0.00 177.10 173.63 1k1c n ALA 44 N 12.13 3.09 0.00 1.71 0.00 0.69 -0.83 120.51 137.31 1k1c n ALA 44 Ca 0.27 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1k1c n ALA 44 Cb 0.49 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.30 1k1c n ALA 44 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1k1c n LYS 45 N 4.03 0.00 -2.36 0.00 2.85 -1.26 -4.43 118.16 116.99 1k1c n LYS 45 Ca 0.23 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 57.17 1k1c n LYS 45 Cb 0.15 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.50 1k1c n LYS 45 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1k1c s SER 46 N 0.00 6.56 0.13 -5.58 0.15 -0.01 -4.78 113.70 110.17 1k1c s SER 46 Ca 0.00 1.52 -0.25 0.00 0.70 0.00 0.00 55.95 57.92 1k1c s SER 46 Cb 0.00 -2.49 -0.06 0.00 -1.71 0.00 0.00 66.02 61.76 1k1c s SER 46 CO 0.00 -0.61 1.31 0.00 1.20 0.00 0.00 173.24 175.13 1k1c n ILE 47 N -1.73 -0.55 0.24 6.45 0.00 -1.26 -0.01 119.36 122.50 1k1c n ILE 47 Ca 0.06 2.05 0.11 0.00 0.00 0.00 0.00 62.75 64.97 1k1c n ILE 47 Cb 0.54 -2.54 0.58 0.00 0.00 0.00 0.00 39.64 38.22 1k1c n ILE 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k1c h MET 48 N 0.00 0.00 0.30 9.51 -0.00 -1.93 0.37 114.93 123.18 1k1c h MET 48 Ca 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.81 1k1c h MET 48 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.93 1k1c h MET 48 CO -0.76 0.19 -0.15 0.78 -0.00 0.00 0.00 176.91 176.98 1k1c h GLY 49 N 1.46 -0.43 0.04 -3.00 0.00 -0.51 0.16 103.07 100.80 1k1c h GLY 49 Ca -0.00 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1k1c h GLY 49 CO 0.02 -0.16 -0.02 -2.00 0.00 0.00 0.00 176.54 174.39 1k1c h LEU 50 N -0.84 -0.05 -0.54 3.11 6.46 -0.66 0.22 115.31 123.02 1k1c h LEU 50 Ca -0.04 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.64 1k1c h LEU 50 Cb 0.52 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 1k1c h LEU 50 CO 0.07 -0.01 0.01 -0.03 -0.62 0.00 0.00 178.44 177.86 1k1c h MET 51 N -0.10 0.94 0.00 1.25 4.05 -0.46 -0.26 114.93 120.35 1k1c h MET 51 Ca -0.01 -0.29 0.00 0.00 -0.28 0.00 0.00 59.70 59.12 1k1c h MET 51 Cb 0.04 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1k1c h MET 51 CO 0.01 0.95 -0.00 0.77 0.23 0.00 0.00 176.91 178.87 1k1c h SER 52 N 0.82 0.00 0.00 1.39 0.02 -1.29 -3.35 113.55 111.14 1k1c h SER 52 Ca 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1k1c h SER 52 Cb 0.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1k1c h SER 52 CO 0.03 0.00 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.56 1k1c h LEU 53 N -0.00 0.00 -2.10 5.07 4.07 -1.02 -3.33 115.31 118.00 1k1c h LEU 53 Ca 0.00 -0.71 0.00 0.00 0.08 0.00 0.00 57.88 57.25 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 0.91 0.10 0.00 -1.08 0.00 0.00 178.44 178.36 1k1c h ALA 54 N -0.29 1.09 0.00 1.53 0.00 -0.43 0.02 119.26 121.17 1k1c h ALA 54 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k1c h ALA 54 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1k1c h ALA 54 CO -0.01 -0.09 0.00 1.55 0.00 0.00 0.00 179.25 180.70 1k1c n VAL 55 N -2.68 0.51 -1.65 0.00 3.14 -0.12 -1.58 118.33 115.94 1k1c n VAL 55 Ca -0.02 0.13 -0.41 0.00 -2.96 0.00 0.00 64.34 61.07 1k1c n VAL 55 Cb 0.15 -0.85 -0.01 0.00 -1.06 0.00 0.00 33.84 32.07 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 -1.29 5.26 -4.68 6.55 7.64 -0.01 -4.53 113.62 122.56 1k1c n SER 56 Ca 0.08 -2.78 -0.65 0.00 1.01 0.00 0.00 58.87 56.53 1k1c n SER 56 Cb 0.13 -1.62 -0.10 0.00 -1.01 0.00 0.00 64.21 61.62 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 4.58 0.07 0.00 0.44 -1.04 -1.23 -0.67 114.28 116.43 1k1c n THR 57 Ca 0.59 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.58 1k1c n THR 57 Cb 0.35 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 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 4.50 0.18 3.73 3.41 0.00 0.93 -4.94 105.19 112.99 1k1c n GLY 58 Ca 0.33 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 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 4.85 -1.00 2.61 2.01 0.15 -4.51 115.64 117.76 1k1c s THR 59 Ca 0.00 1.67 -0.23 0.00 0.31 0.00 0.00 61.69 63.43 1k1c s THR 59 Cb 0.00 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.38 1k1c s THR 59 CO 0.00 0.29 1.66 -1.61 -0.69 0.00 0.00 174.62 174.26 1k1c s GLU 60 N 0.43 3.20 -0.12 4.92 2.02 -1.25 -0.41 118.70 127.50 1k1c s GLU 60 Ca 0.41 -0.86 -0.04 0.00 0.02 0.00 0.00 54.97 54.50 1k1c s GLU 60 Cb -0.20 -5.26 -0.03 0.00 0.10 0.00 0.00 34.13 28.74 1k1c s GLU 60 CO 0.23 -2.69 0.02 0.14 0.02 0.00 0.00 175.26 172.98 1k1c s VAL 61 N 6.96 4.48 -0.33 2.63 -7.23 0.14 -0.11 120.40 126.95 1k1c s VAL 61 Ca 0.56 -0.17 -0.25 0.00 -1.81 0.00 0.00 61.98 60.31 1k1c s VAL 61 Cb -0.02 -2.94 0.01 0.00 0.56 0.00 0.00 36.38 33.99 1k1c s VAL 61 CO -0.05 0.55 0.86 0.42 -0.31 0.00 0.00 175.10 176.57 1k1c s THR 62 N -0.40 4.70 -0.44 5.32 -4.23 0.54 -0.55 115.64 120.59 1k1c s THR 62 Ca 0.08 1.22 -0.20 0.00 -1.18 0.00 0.00 61.69 61.61 1k1c s THR 62 Cb -0.12 -4.23 0.02 0.00 1.34 0.00 0.00 72.50 69.51 1k1c s THR 62 CO 0.02 -0.36 0.63 -0.22 -0.54 0.00 0.00 174.62 174.14 1k1c s LEU 63 N 3.18 4.53 0.40 4.79 0.20 0.57 -0.05 118.68 132.29 1k1c s LEU 63 Ca 0.35 -0.37 0.08 0.00 0.69 0.00 0.00 54.13 54.88 1k1c s LEU 63 Cb -0.13 -2.70 0.00 0.00 -0.43 0.00 0.00 46.19 42.93 1k1c s LEU 63 CO 0.15 -0.76 0.53 -0.63 -0.29 0.00 0.00 176.35 175.34 1k1c s ILE 64 N 2.76 3.26 -0.24 6.68 1.01 0.83 -0.56 121.20 134.94 1k1c s ILE 64 Ca 0.22 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 1k1c s ILE 64 Cb -0.14 -3.11 0.13 0.00 0.01 0.00 0.00 42.46 39.35 1k1c s ILE 64 CO 0.19 -0.04 0.33 0.00 0.00 0.00 0.00 174.94 175.41 1k1c s ALA 65 N -2.31 -0.81 -1.03 9.38 0.00 -0.40 -0.21 121.76 126.38 1k1c s ALA 65 Ca 0.52 0.51 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 1k1c s ALA 65 Cb -0.09 -1.64 0.29 0.00 0.00 0.00 0.00 23.12 21.67 1k1c s ALA 65 CO 0.32 -1.36 1.23 0.00 0.00 0.00 0.00 175.76 175.96 1k1c n GLN 66 N 5.34 3.83 -0.34 0.00 10.64 0.18 -3.52 117.38 133.51 1k1c n GLN 66 Ca -0.03 -4.53 0.00 0.00 -1.83 0.00 0.00 57.00 50.60 1k1c n GLN 66 Cb 0.49 -2.49 0.00 0.00 -0.86 0.00 0.00 30.24 27.39 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 1.77 2.72 0.35 2.61 0.00 -0.10 -0.76 105.19 111.77 1k1c n GLY 67 Ca 0.25 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 0.37 -1.81 1.61 5.08 -1.87 0.45 114.58 118.41 1k1c h GLU 68 Ca 0.00 -0.02 -0.68 0.00 -1.00 0.00 0.00 59.36 57.66 1k1c h GLU 68 Cb 0.00 -0.08 -0.35 0.00 0.50 0.00 0.00 28.75 28.82 1k1c h GLU 68 CO 0.00 0.24 0.13 -0.25 -1.00 0.00 0.00 179.01 178.13 1k1c n ASP 69 N -4.47 6.04 0.01 1.42 9.92 -1.26 -4.84 116.55 123.37 1k1c n ASP 69 Ca 0.09 -3.77 -0.01 0.00 -0.53 0.00 0.00 54.79 50.57 1k1c n ASP 69 Cb 0.36 -0.76 -0.00 0.00 -0.64 0.00 0.00 41.12 40.07 1k1c n ASP 69 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1k1c h GLU 70 N 2.87 -0.05 -0.47 -1.24 4.11 -1.02 0.23 114.58 119.01 1k1c h GLU 70 Ca 0.42 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.95 1k1c h GLU 70 Cb 0.48 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.65 1k1c h GLU 70 CO 1.12 -0.03 -0.23 0.37 0.07 0.00 0.00 179.01 180.30 1k1c h GLN 71 N -0.05 -0.13 0.34 1.06 5.75 -1.86 0.73 115.11 120.96 1k1c h GLN 71 Ca -0.00 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1k1c h GLN 71 Cb 0.04 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1k1c h GLN 71 CO -0.00 -0.09 -0.28 1.49 -2.65 0.00 0.00 178.83 177.30 1k1c h GLU 72 N -0.14 -0.60 0.79 1.69 4.57 -1.92 -0.31 114.58 118.66 1k1c h GLU 72 Ca 0.22 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.40 1k1c h GLU 72 Cb 0.48 0.14 0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1k1c h GLU 72 CO -0.55 -0.40 -0.38 0.00 -1.18 0.00 0.00 179.01 176.50 1k1c h ALA 73 N -0.06 -1.06 -0.61 2.92 0.00 -0.10 -1.49 119.26 118.87 1k1c h ALA 73 Ca -0.03 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.75 1k1c h ALA 73 Cb 0.55 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 1k1c h ALA 73 CO -0.01 -1.05 0.19 1.37 0.00 0.00 0.00 179.25 179.74 1k1c h LEU 74 N -1.14 0.13 -0.05 0.00 8.10 -0.87 -1.01 115.31 120.48 1k1c h LEU 74 Ca -0.11 0.09 -0.03 0.00 0.11 0.00 0.00 57.88 57.95 1k1c h LEU 74 Cb 0.82 0.10 -0.00 0.00 -0.44 0.00 0.00 40.66 41.14 1k1c h LEU 74 CO 0.18 0.08 -0.08 1.05 -4.11 0.00 0.00 178.44 175.55 1k1c h GLU 75 N 0.34 0.15 -0.49 0.17 4.11 -1.01 0.91 114.58 118.76 1k1c h GLU 75 Ca 0.31 -0.09 -0.02 0.00 0.07 0.00 0.00 59.36 59.64 1k1c h GLU 75 Cb 0.43 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1k1c h GLU 75 CO -0.35 0.65 0.24 1.57 0.07 0.00 0.00 179.01 181.20 1k1c h LYS 76 N -0.34 0.69 0.42 1.06 2.10 -1.06 0.51 116.57 119.95 1k1c h LYS 76 Ca 0.00 -0.10 -0.02 0.00 -2.00 0.00 0.00 60.65 58.54 1k1c h LYS 76 Cb 0.64 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1k1c h LYS 76 CO 0.02 0.57 -0.20 -0.07 -2.00 0.00 0.00 179.45 177.77 1k1c h LEU 77 N 0.64 -0.47 -2.17 7.07 -0.00 -1.21 0.41 115.31 119.57 1k1c h LEU 77 Ca 0.17 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1k1c h LEU 77 Cb 0.10 0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.88 1k1c h LEU 77 CO -0.02 -0.10 -0.01 0.00 -0.00 0.00 0.00 178.44 178.30 1k1c h ALA 78 N -0.53 1.76 0.71 1.53 0.00 -0.77 0.94 119.26 122.89 1k1c h ALA 78 Ca -0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1k1c h ALA 78 Cb 0.56 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1k1c h ALA 78 CO 0.09 0.02 -0.34 0.00 0.00 0.00 0.00 179.25 179.02 1k1c h ALA 79 N 1.99 -0.98 -0.39 0.00 0.00 -0.81 -3.35 119.26 115.72 1k1c h ALA 79 Ca -0.00 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1k1c h ALA 79 Cb 0.03 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1k1c h ALA 79 CO 0.00 -0.91 -0.51 -0.92 0.00 0.00 0.00 179.25 176.92 1k1c h TYR 80 N -1.23 -1.55 -1.21 0.00 3.20 0.49 0.55 116.97 117.22 1k1c h TYR 80 Ca -0.10 0.08 0.39 0.00 3.14 0.00 0.00 58.73 62.24 1k1c h TYR 80 Cb 0.74 0.73 -0.13 0.00 1.54 0.00 0.00 36.73 39.61 1k1c h TYR 80 CO 0.00 -0.44 0.76 -0.39 -1.64 0.00 0.00 178.16 176.46 1k1c h VAL 81 N -0.35 0.20 0.00 1.81 -1.51 -1.03 -3.00 116.25 112.37 1k1c h VAL 81 Ca 0.07 -0.06 -0.12 0.00 -1.23 0.00 0.00 66.70 65.36 1k1c h VAL 81 Cb 0.53 0.03 -0.02 0.00 -2.13 0.00 0.00 31.29 29.70 1k1c h VAL 81 CO -0.55 0.03 -1.46 0.00 -1.23 0.00 0.00 177.57 174.36 1k1c n GLN 82 N -4.77 2.49 -0.25 5.19 10.64 -1.03 -0.80 117.38 128.85 1k1c n GLN 82 Ca 0.35 0.01 -0.04 0.00 -1.83 0.00 0.00 57.00 55.48 1k1c n GLN 82 Cb 1.27 -1.17 0.01 0.00 -0.86 0.00 0.00 30.24 29.49 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 -0.12 0.00 2.61 4.57 -0.74 -3.42 114.58 117.47 1k1c h GLU 83 Ca -0.18 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1k1c h GLU 83 Cb 1.39 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.01 1k1c h GLU 83 CO 0.00 -0.08 0.00 -0.85 -1.18 0.00 0.00 179.01 176.90 1k1c n GLU 84 N -5.44 0.59 0.00 1.92 0.28 -1.26 -5.10 120.64 111.64 1k1c n GLU 84 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1k1c n GLU 84 Cb 0.37 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.24 1k1c n GLU 84 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30