#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 2.56 0.09 7.34 0.74 -1.26 -1.57 119.66 127.56 1k1c s GLN 3 Ca 0.00 -0.70 -0.07 0.00 0.05 0.00 0.00 55.36 54.64 1k1c s GLN 3 Cb 0.00 -2.49 -0.01 0.00 1.10 0.00 0.00 33.01 31.61 1k1c s GLN 3 CO 0.00 0.61 0.17 -0.65 -0.55 0.00 0.00 175.29 174.87 1k1c s GLN 4 N -1.23 0.85 -0.24 1.67 -0.21 -1.26 -4.94 119.66 114.30 1k1c s GLN 4 Ca 0.15 -1.04 -0.16 0.00 0.02 0.00 0.00 55.36 54.34 1k1c s GLN 4 Cb -0.11 0.32 0.07 0.00 1.00 0.00 0.00 33.01 34.29 1k1c s GLN 4 CO 0.06 -0.26 0.59 -1.59 -2.12 0.00 0.00 175.29 171.97 1k1c s LYS 5 N -3.89 0.63 -0.15 2.91 -2.85 -1.25 -0.76 119.74 114.37 1k1c s LYS 5 Ca 0.07 1.00 -0.01 0.00 -1.00 0.00 0.00 55.97 56.03 1k1c s LYS 5 Cb 0.05 0.17 -0.01 0.00 -2.06 0.00 0.00 37.83 35.98 1k1c s LYS 5 CO -0.09 -0.13 -0.12 0.14 0.10 0.00 0.00 175.35 175.25 1k1c s VAL 6 N 1.16 3.02 0.22 1.79 -7.23 0.41 -4.78 120.40 114.99 1k1c s VAL 6 Ca -0.07 -0.65 -0.17 0.00 -1.81 0.00 0.00 61.98 59.28 1k1c s VAL 6 Cb -0.06 -2.29 -0.08 0.00 0.56 0.00 0.00 36.38 34.51 1k1c s VAL 6 CO -0.12 0.50 0.66 -0.70 -0.31 0.00 0.00 175.10 175.14 1k1c s GLU 7 N 0.69 4.11 0.12 4.82 -6.30 -1.25 -0.30 118.70 120.59 1k1c s GLU 7 Ca -0.06 0.69 -0.23 0.00 -2.50 0.00 0.00 54.97 52.88 1k1c s GLU 7 Cb -0.15 -2.81 0.06 0.00 0.00 0.00 0.00 34.13 31.23 1k1c s GLU 7 CO 0.02 0.38 0.56 0.14 0.02 0.00 0.00 175.26 176.38 1k1c s VAL 8 N -1.59 0.02 0.35 3.70 -7.23 0.10 -4.92 120.40 110.82 1k1c s VAL 8 Ca 0.43 -0.13 -0.26 0.00 -1.81 0.00 0.00 61.98 60.22 1k1c s VAL 8 Cb -0.15 -1.02 -0.09 0.00 0.56 0.00 0.00 36.38 35.68 1k1c s VAL 8 CO 0.20 -0.07 1.04 -0.60 -0.31 0.00 0.00 175.10 175.36 1k1c s ARG 9 N -3.33 4.40 -1.11 4.82 3.52 -1.26 0.33 118.95 126.33 1k1c s ARG 9 Ca -0.01 1.55 -0.20 0.00 -0.13 0.00 0.00 55.73 56.95 1k1c s ARG 9 Cb -0.00 -2.80 -0.06 0.00 -1.56 0.00 0.00 34.95 30.53 1k1c s ARG 9 CO -0.09 0.06 1.97 -0.11 -0.81 0.00 0.00 175.30 176.32 1k1c n LEU 10 N 0.46 4.66 0.27 -0.88 7.94 0.10 -2.96 117.00 126.59 1k1c n LEU 10 Ca 0.02 -3.41 0.17 0.00 -1.11 0.00 0.00 56.01 51.68 1k1c n LEU 10 Cb 0.48 -1.48 0.63 0.00 0.53 0.00 0.00 43.42 43.58 1k1c n LEU 10 CO 0.47 -0.25 0.97 0.50 -1.11 0.00 0.00 177.39 177.97 1k1c h LYS 11 N 7.79 0.00 0.00 1.96 3.11 -0.71 0.32 116.57 129.04 1k1c h LYS 11 Ca 0.42 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 58.22 1k1c h LYS 11 Cb 0.75 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.98 1k1c h LYS 11 CO 1.71 0.00 -0.30 1.79 -2.81 0.00 0.00 179.45 179.84 1k1c h THR 12 N 0.00 0.84 -1.11 1.00 1.35 -1.71 -3.41 112.91 109.88 1k1c h THR 12 Ca 0.00 -1.72 -0.13 0.00 -0.55 0.00 0.00 66.41 64.02 1k1c h THR 12 Cb 0.57 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1k1c h THR 12 CO 0.00 0.28 -0.17 0.61 -0.25 0.00 0.00 175.52 175.99 1k1c n GLY 13 N 1.63 0.15 3.97 5.82 0.00 -1.07 -4.37 105.19 111.33 1k1c n GLY 13 Ca -0.10 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.04 -0.81 0.00 0.99 7.99 -0.48 -3.59 117.00 120.06 1k1c n LEU 14 Ca -0.07 -1.18 0.00 0.00 -0.01 0.00 0.00 56.01 54.76 1k1c n LEU 14 Cb 0.55 -1.58 0.00 0.00 -0.11 0.00 0.00 43.42 42.28 1k1c n LEU 14 CO 0.10 0.66 0.00 0.00 -1.51 0.00 0.00 177.39 176.64 1k1c n GLN 15 N -4.05 0.00 0.00 3.23 6.02 -1.26 -4.50 117.38 116.82 1k1c n GLN 15 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 1k1c n GLN 15 Cb 0.62 -0.44 0.00 0.00 1.02 0.00 0.00 30.24 31.44 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 -2.39 0.00 -0.62 -1.58 0.00 -1.26 -4.89 120.51 109.77 1k1c n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1k1c n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -0.10 0.00 3.00 -1.26 -4.65 116.66 113.66 1k1c n ARG 17 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.79 1k1c n ARG 17 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 -0.17 -0.77 -0.14 0.13 -1.98 0.34 132.00 129.40 1k1c h PRO 18 Ca 0.00 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.25 1k1c h PRO 18 Cb 0.00 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 31.09 1k1c h PRO 18 CO 0.00 -0.11 0.39 0.00 -0.23 0.00 0.00 178.00 178.05 1k1c h ALA 19 N 0.99 1.10 -0.60 -0.56 0.00 -1.91 0.30 119.26 118.58 1k1c h ALA 19 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1k1c h ALA 19 Cb 0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1k1c h ALA 19 CO -0.46 -0.05 0.39 0.00 0.00 0.00 0.00 179.25 179.13 1k1c h ALA 20 N 1.48 0.76 -0.59 0.00 0.00 -1.43 0.13 119.26 119.60 1k1c h ALA 20 Ca 0.40 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.30 1k1c h ALA 20 Cb 0.47 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1k1c h ALA 20 CO -0.30 0.20 0.35 1.25 0.00 0.00 0.00 179.25 180.74 1k1c h LEU 21 N 0.81 0.55 0.25 0.00 6.46 0.91 0.13 115.31 124.42 1k1c h LEU 21 Ca 0.22 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 1k1c h LEU 21 Cb -0.09 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.73 1k1c h LEU 21 CO -0.05 0.38 -0.28 -0.26 -0.62 0.00 0.00 178.44 177.61 1k1c h PHE 22 N 0.68 -0.77 -0.75 1.25 0.04 0.50 0.18 116.94 118.07 1k1c h PHE 22 Ca 0.25 0.01 0.10 0.00 2.80 0.00 0.00 57.97 61.13 1k1c h PHE 22 Cb 0.07 0.30 -0.07 0.00 2.20 0.00 0.00 35.95 38.45 1k1c h PHE 22 CO -0.07 -0.36 0.38 0.28 -0.60 0.00 0.00 178.31 177.94 1k1c h VAL 23 N -0.53 0.84 0.09 -0.55 2.07 -0.71 0.30 116.25 117.76 1k1c h VAL 23 Ca -0.03 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1k1c h VAL 23 Cb 0.47 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1k1c h VAL 23 CO -0.05 0.11 -0.35 -0.61 0.02 0.00 0.00 177.57 176.69 1k1c h GLN 24 N 0.63 -0.50 -0.01 1.57 4.15 -0.43 0.16 115.11 120.68 1k1c h GLN 24 Ca 0.37 0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.63 1k1c h GLN 24 Cb 0.41 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1k1c h GLN 24 CO -0.28 -0.33 -0.83 1.05 -1.93 0.00 0.00 178.83 176.51 1k1c h GLU 25 N -0.52 0.25 -0.72 1.69 4.11 -0.38 0.40 114.58 119.42 1k1c h GLU 25 Ca -0.01 -0.25 0.08 0.00 0.07 0.00 0.00 59.36 59.26 1k1c h GLU 25 Cb 0.51 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 1k1c h GLU 25 CO -0.18 0.95 0.38 0.00 0.07 0.00 0.00 179.01 180.22 1k1c h ALA 26 N 0.97 0.99 -0.51 1.06 0.00 -0.38 0.17 119.26 121.56 1k1c h ALA 26 Ca -0.04 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1k1c h ALA 26 Cb 1.44 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1k1c h ALA 26 CO 0.13 0.00 -0.01 -0.91 0.00 0.00 0.00 179.25 178.46 1k1c h ASN 27 N 0.66 0.90 -0.67 0.00 2.35 -0.32 -2.88 115.58 115.62 1k1c h ASN 27 Ca 0.34 -0.31 0.14 0.00 -0.55 0.00 0.00 56.30 55.92 1k1c h ASN 27 Cb 0.32 -0.24 -0.11 0.00 0.05 0.00 0.00 38.32 38.34 1k1c h ASN 27 CO -0.24 1.00 0.09 0.03 -1.65 0.00 0.00 177.43 176.65 1k1c h ARG 28 N 0.78 0.19 -6.30 0.81 3.08 0.13 -3.36 114.38 109.71 1k1c h ARG 28 Ca 0.14 -0.01 -0.54 0.00 0.07 0.00 0.00 59.98 59.64 1k1c h ARG 28 Cb 0.54 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1k1c h ARG 28 CO 0.03 0.12 1.05 -0.06 -1.07 0.00 0.00 179.97 180.05 1k1c s PHE 29 N -6.10 2.11 -1.55 3.04 0.08 0.44 -4.89 117.98 111.12 1k1c s PHE 29 Ca -0.13 0.26 -0.10 0.00 0.12 0.00 0.00 56.93 57.08 1k1c s PHE 29 Cb 0.20 -3.90 -0.03 0.00 -0.57 0.00 0.00 43.02 38.71 1k1c s PHE 29 CO 0.75 -3.74 2.73 -2.37 -0.10 0.00 0.00 175.22 172.48 1k1c n THR 30 N 5.30 4.30 -4.22 0.64 5.66 -1.26 -4.79 114.28 119.91 1k1c n THR 30 Ca 0.17 -2.94 -0.17 0.00 -3.05 0.00 0.00 64.05 58.06 1k1c n THR 30 Cb 0.42 -2.54 -0.13 0.00 -1.55 0.00 0.00 70.33 66.54 1k1c n THR 30 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1k1c s SER 31 N 2.07 1.12 -1.03 1.09 0.01 -1.26 -0.39 113.70 115.30 1k1c s SER 31 Ca 0.63 -0.38 -0.23 0.00 1.31 0.00 0.00 55.95 57.28 1k1c s SER 31 Cb 0.17 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 1k1c s SER 31 CO -0.07 -0.03 1.87 -1.81 0.41 0.00 0.00 173.24 173.61 1k1c s ASP 32 N -0.97 5.39 0.29 2.44 1.01 0.21 -4.62 116.67 120.43 1k1c s ASP 32 Ca -0.02 -1.20 -0.28 0.00 0.71 0.00 0.00 52.55 51.77 1k1c s ASP 32 Cb -0.07 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.20 1k1c s ASP 32 CO 0.01 -2.59 0.98 -0.69 0.21 0.00 0.00 175.17 173.08 1k1c s VAL 33 N 9.35 4.01 0.13 -1.27 1.01 -1.26 -0.56 120.40 131.81 1k1c s VAL 33 Ca 0.66 1.82 -0.03 0.00 0.00 0.00 0.00 61.98 64.43 1k1c s VAL 33 Cb -0.03 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1k1c s VAL 33 CO 0.03 0.29 0.11 -0.36 0.00 0.00 0.00 175.10 175.17 1k1c s PHE 34 N -1.40 0.69 -0.07 5.22 0.08 0.57 -0.25 117.98 122.82 1k1c s PHE 34 Ca 0.47 -1.07 -0.02 0.00 0.12 0.00 0.00 56.93 56.43 1k1c s PHE 34 Cb -0.24 -0.35 0.03 0.00 -0.57 0.00 0.00 43.02 41.90 1k1c s PHE 34 CO 0.30 -0.56 0.02 -1.17 -0.10 0.00 0.00 175.22 173.70 1k1c s LEU 35 N -3.01 0.48 -0.43 -0.37 2.96 0.55 0.04 118.68 118.90 1k1c s LEU 35 Ca 0.20 -0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.97 1k1c s LEU 35 Cb 0.06 -0.36 0.10 0.00 0.50 0.00 0.00 46.19 46.49 1k1c s LEU 35 CO -0.00 -0.21 0.27 -1.61 -1.32 0.00 0.00 176.35 173.48 1k1c s GLU 36 N 2.02 2.37 -1.04 1.98 2.02 0.32 -0.52 118.70 125.85 1k1c s GLU 36 Ca 0.05 -1.69 -0.24 0.00 0.02 0.00 0.00 54.97 53.11 1k1c s GLU 36 Cb -0.12 -3.77 -0.10 0.00 0.10 0.00 0.00 34.13 30.24 1k1c s GLU 36 CO -0.05 -1.08 2.01 0.15 0.02 0.00 0.00 175.26 176.31 1k1c s LYS 37 N 1.31 2.25 -1.23 1.61 1.02 0.48 -0.20 119.74 124.98 1k1c s LYS 37 Ca 0.05 -0.64 -0.03 0.00 0.02 0.00 0.00 55.97 55.37 1k1c s LYS 37 Cb -0.24 -5.11 0.02 0.00 -0.52 0.00 0.00 37.83 31.98 1k1c s LYS 37 CO -0.01 -4.04 0.23 -0.25 -0.92 0.00 0.00 175.35 170.36 1k1c n ASP 38 N 15.37 -4.26 0.00 2.83 8.00 0.68 -0.79 116.55 138.37 1k1c n ASP 38 Ca 0.43 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1k1c n ASP 38 Cb 0.46 -3.56 0.00 0.00 -0.02 0.00 0.00 41.12 38.01 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 -1.02 0.60 3.23 0.44 0.00 -1.21 -5.03 105.19 102.20 1k1c n GLY 39 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 2.47 -3.35 1.61 5.02 0.03 -4.89 118.16 119.06 1k1c n LYS 40 Ca 0.00 -2.65 -0.38 0.00 -2.02 0.00 0.00 58.31 53.26 1k1c n LYS 40 Cb 0.00 -3.37 -0.06 0.00 -0.02 0.00 0.00 35.03 31.58 1k1c n LYS 40 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1k1c s LYS 41 N 4.48 4.13 0.21 1.97 2.36 -1.24 -0.39 119.74 131.26 1k1c s LYS 41 Ca 0.55 0.61 -0.02 0.00 -2.55 0.00 0.00 55.97 54.56 1k1c s LYS 41 Cb 0.08 -3.26 -0.04 0.00 -1.05 0.00 0.00 37.83 33.57 1k1c s LYS 41 CO 0.05 0.60 0.16 0.14 1.55 0.00 0.00 175.35 177.85 1k1c s VAL 42 N -0.89 0.00 -0.62 4.02 -7.23 0.32 -4.91 120.40 111.08 1k1c s VAL 42 Ca 0.27 -1.95 -0.27 0.00 -1.81 0.00 0.00 61.98 58.22 1k1c s VAL 42 Cb -0.18 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 1k1c s VAL 42 CO 0.16 0.00 1.79 0.21 -0.31 0.00 0.00 175.10 176.95 1k1c s ASN 43 N -3.16 5.38 0.29 4.85 3.04 -1.26 -0.33 114.94 123.76 1k1c s ASN 43 Ca 0.38 0.25 0.04 0.00 0.04 0.00 0.00 52.86 53.57 1k1c s ASN 43 Cb 0.06 -2.53 0.72 0.00 -1.54 0.00 0.00 41.25 37.96 1k1c s ASN 43 CO 0.12 -2.31 1.73 0.00 -3.04 0.00 0.00 177.10 173.61 1k1c h ALA 44 N 14.35 1.52 0.00 1.71 0.00 -0.83 0.12 119.26 136.13 1k1c h ALA 44 Ca -0.26 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1k1c h ALA 44 Cb 1.15 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1k1c h ALA 44 CO 1.22 -0.21 0.00 0.36 0.00 0.00 0.00 179.25 180.62 1k1c n LYS 45 N -4.92 0.21 -3.77 0.00 2.85 -1.25 -3.32 118.16 107.96 1k1c n LYS 45 Ca 0.22 0.32 -0.20 0.00 -1.05 0.00 0.00 58.31 57.59 1k1c n LYS 45 Cb 0.61 -1.82 -0.02 0.00 -0.65 0.00 0.00 35.03 33.16 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 -4.26 5.98 0.24 -5.58 0.01 0.39 -4.89 113.70 105.60 1k1c s SER 46 Ca 0.07 -0.13 -0.07 0.00 1.31 0.00 0.00 55.95 57.14 1k1c s SER 46 Cb 0.11 -1.47 0.43 0.00 0.21 0.00 0.00 66.02 65.30 1k1c s SER 46 CO 0.47 -0.24 1.66 -0.29 0.41 0.00 0.00 173.24 175.26 1k1c h ILE 47 N 1.11 0.44 0.00 1.44 -0.00 -1.87 0.19 117.51 118.81 1k1c h ILE 47 Ca -0.48 -0.06 -0.04 0.00 -0.00 0.00 0.00 64.86 64.28 1k1c h ILE 47 Cb 1.24 0.25 -0.01 0.00 -0.00 0.00 0.00 36.82 38.31 1k1c h ILE 47 CO 0.57 0.03 -0.17 0.00 -0.00 0.00 0.00 178.15 178.58 1k1c h MET 48 N 0.17 0.00 0.00 2.19 -0.00 -1.94 0.89 114.93 116.24 1k1c h MET 48 Ca 0.40 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 60.10 1k1c h MET 48 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.30 1k1c h MET 48 CO -0.58 0.17 -0.00 0.78 -0.00 0.00 0.00 176.91 177.28 1k1c h GLY 49 N 0.77 -0.00 0.00 -3.00 0.00 -0.59 -0.01 103.07 100.23 1k1c h GLY 49 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1k1c h GLY 49 CO 0.02 -0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.46 1k1c n LEU 50 N -2.03 0.00 -0.03 3.11 7.94 0.38 0.25 117.00 126.62 1k1c n LEU 50 Ca -0.00 0.88 -0.15 0.00 -1.11 0.00 0.00 56.01 55.63 1k1c n LEU 50 Cb 0.00 -0.38 -0.09 0.00 0.53 0.00 0.00 43.42 43.48 1k1c n LEU 50 CO 0.00 -0.38 0.45 -0.03 -1.11 0.00 0.00 177.39 176.33 1k1c h MET 51 N 0.00 0.31 0.01 1.96 4.05 0.49 -1.58 114.93 120.17 1k1c h MET 51 Ca 0.00 -0.25 -0.00 0.00 -0.28 0.00 0.00 59.70 59.17 1k1c h MET 51 Cb 0.00 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1k1c h MET 51 CO 0.00 0.89 -0.00 0.77 0.23 0.00 0.00 176.91 178.79 1k1c h SER 52 N -0.19 -0.01 0.00 1.39 0.02 -0.65 -3.30 113.55 110.82 1k1c h SER 52 Ca -0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1k1c h SER 52 Cb 0.93 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 1k1c h SER 52 CO 0.06 0.00 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.57 1k1c h LEU 53 N -0.03 0.00 -1.16 5.07 4.07 -0.70 -3.34 115.31 119.23 1k1c h LEU 53 Ca -0.00 -0.47 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1k1c h LEU 53 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1k1c h LEU 53 CO 0.00 0.80 0.22 0.00 -1.08 0.00 0.00 178.44 178.39 1k1c h ALA 54 N -0.53 1.16 0.00 1.53 0.00 -0.23 -0.13 119.26 121.06 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 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1k1c h ALA 54 CO -0.01 -0.16 0.00 1.55 0.00 0.00 0.00 179.25 180.63 1k1c n VAL 55 N -2.20 0.84 -1.58 0.00 3.14 -0.60 -1.38 118.33 116.55 1k1c n VAL 55 Ca -0.01 0.26 -0.42 0.00 -2.96 0.00 0.00 64.34 61.20 1k1c n VAL 55 Cb 0.25 -1.20 -0.01 0.00 -1.06 0.00 0.00 33.84 31.82 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 -2.25 3.60 -4.73 6.55 7.64 -0.06 -4.46 113.62 119.90 1k1c n SER 56 Ca 0.02 -2.79 -0.64 0.00 1.01 0.00 0.00 58.87 56.46 1k1c n SER 56 Cb 0.22 -1.52 -0.09 0.00 -1.01 0.00 0.00 64.21 61.81 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 5.30 0.10 0.00 0.44 -1.04 -1.25 -1.45 114.28 116.38 1k1c n THR 57 Ca 0.52 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 1k1c n THR 57 Cb 0.39 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 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 3.98 0.61 3.79 3.41 0.00 0.11 -4.92 105.19 112.17 1k1c n GLY 58 Ca 0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.96 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 4.22 -0.86 2.61 2.01 -0.53 -4.61 115.64 116.48 1k1c s THR 59 Ca 0.00 1.66 -0.21 0.00 0.31 0.00 0.00 61.69 63.45 1k1c s THR 59 Cb 0.00 -3.83 0.10 0.00 0.01 0.00 0.00 72.50 68.78 1k1c s THR 59 CO 0.00 -0.04 1.13 -1.61 -0.69 0.00 0.00 174.62 173.42 1k1c s GLU 60 N -2.50 3.45 -0.11 4.92 0.41 -1.26 0.02 118.70 123.63 1k1c s GLU 60 Ca 0.55 -1.38 -0.11 0.00 -0.41 0.00 0.00 54.97 53.62 1k1c s GLU 60 Cb -0.15 -4.78 -0.05 0.00 -1.78 0.00 0.00 34.13 27.37 1k1c s GLU 60 CO 0.20 -1.86 0.24 0.14 -0.49 0.00 0.00 175.26 173.50 1k1c s VAL 61 N 3.46 5.33 -0.37 2.63 -7.23 0.15 -0.23 120.40 124.14 1k1c s VAL 61 Ca 0.32 0.45 -0.14 0.00 -1.81 0.00 0.00 61.98 60.80 1k1c s VAL 61 Cb -0.07 -3.54 -0.00 0.00 0.56 0.00 0.00 36.38 33.32 1k1c s VAL 61 CO -0.04 0.53 0.27 -0.89 -0.31 0.00 0.00 175.10 174.66 1k1c s THR 62 N -0.50 5.26 -0.52 5.32 2.01 0.72 0.03 115.64 127.96 1k1c s THR 62 Ca 0.17 -0.42 -0.26 0.00 0.31 0.00 0.00 61.69 61.48 1k1c s THR 62 Cb -0.13 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.60 1k1c s THR 62 CO 0.05 -0.15 1.01 -0.22 -0.69 0.00 0.00 174.62 174.63 1k1c s LEU 63 N 1.70 3.87 0.22 4.42 1.98 0.59 -0.52 118.68 130.94 1k1c s LEU 63 Ca 0.06 0.01 -0.07 0.00 -2.89 0.00 0.00 54.13 51.24 1k1c s LEU 63 Cb -0.18 -3.12 -0.06 0.00 0.66 0.00 0.00 46.19 43.49 1k1c s LEU 63 CO 0.10 -1.22 0.50 -0.63 -1.89 0.00 0.00 176.35 173.21 1k1c s ILE 64 N 4.16 5.03 -0.41 6.68 1.01 0.11 -0.44 121.20 137.33 1k1c s ILE 64 Ca 0.38 0.22 0.04 0.00 0.00 0.00 0.00 60.65 61.29 1k1c s ILE 64 Cb -0.10 -3.65 0.16 0.00 0.01 0.00 0.00 42.46 38.88 1k1c s ILE 64 CO 0.25 -0.11 0.40 0.00 0.00 0.00 0.00 174.94 175.48 1k1c s ALA 65 N -1.84 0.17 -1.29 9.38 0.00 0.06 -0.32 121.76 127.92 1k1c s ALA 65 Ca 0.45 -1.57 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 1k1c s ALA 65 Cb -0.11 -1.93 0.14 0.00 0.00 0.00 0.00 23.12 21.22 1k1c s ALA 65 CO 0.25 -2.09 1.80 0.00 0.00 0.00 0.00 175.76 175.71 1k1c n GLN 66 N 3.47 3.41 -0.91 0.00 10.64 0.28 -3.73 117.38 130.53 1k1c n GLN 66 Ca 0.20 -3.46 0.00 0.00 -1.83 0.00 0.00 57.00 51.91 1k1c n GLN 66 Cb 0.47 -3.06 0.00 0.00 -0.86 0.00 0.00 30.24 26.79 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 3.55 3.94 0.27 2.61 0.00 -0.61 -0.62 105.19 114.34 1k1c n GLY 67 Ca 0.42 -1.35 0.07 0.00 0.00 0.00 0.00 46.02 45.15 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 0.17 -0.43 1.61 5.08 -1.04 0.30 114.58 120.27 1k1c h GLU 68 Ca 0.00 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 1k1c h GLU 68 Cb 0.00 -0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.10 1k1c h GLU 68 CO 0.00 0.11 0.04 -0.25 -1.00 0.00 0.00 179.01 177.91 1k1c n ASP 69 N -4.52 2.95 0.00 1.42 8.00 -1.26 -4.95 116.55 118.19 1k1c n ASP 69 Ca -0.01 -3.61 0.00 0.00 0.71 0.00 0.00 54.79 51.88 1k1c n ASP 69 Cb 0.08 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 1k1c n ASP 69 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1k1c n GLU 70 N -0.99 0.00 -0.38 -1.24 0.28 0.09 0.42 120.64 118.83 1k1c n GLU 70 Ca 0.35 0.35 -0.08 0.00 -0.16 0.00 0.00 57.16 57.62 1k1c n GLU 70 Cb 1.11 -0.70 -0.06 0.00 1.43 0.00 0.00 31.44 33.22 1k1c n GLU 70 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1k1c n GLN 71 N -0.84 -0.36 -0.13 3.44 0.00 -1.26 -0.41 117.38 117.81 1k1c n GLN 71 Ca 0.00 1.40 -0.05 0.00 -0.00 0.00 0.00 57.00 58.35 1k1c n GLN 71 Cb 0.00 -2.06 0.04 0.00 0.00 0.00 0.00 30.24 28.22 1k1c n GLN 71 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1k1c h GLU 72 N 0.00 0.28 0.71 3.69 4.57 -1.54 -0.62 114.58 121.67 1k1c h GLU 72 Ca 0.19 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1k1c h GLU 72 Cb 0.42 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1k1c h GLU 72 CO -0.88 0.19 -0.34 0.00 -1.18 0.00 0.00 179.01 176.80 1k1c h ALA 73 N 1.29 -0.95 -0.77 2.92 0.00 0.28 -1.03 119.26 121.01 1k1c h ALA 73 Ca 0.20 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1k1c h ALA 73 Cb 0.21 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1k1c h ALA 73 CO -0.22 -1.00 0.45 1.37 0.00 0.00 0.00 179.25 179.85 1k1c h LEU 74 N -1.01 0.68 0.13 0.00 8.10 -0.93 -2.95 115.31 119.33 1k1c h LEU 74 Ca -0.10 0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.93 1k1c h LEU 74 Cb 0.74 -0.11 -0.03 0.00 -0.44 0.00 0.00 40.66 40.83 1k1c h LEU 74 CO 0.16 0.43 -0.34 -0.33 -4.11 0.00 0.00 178.44 174.25 1k1c h GLU 75 N 0.81 -0.51 -0.57 0.17 4.39 -0.81 -1.05 114.58 117.02 1k1c h GLU 75 Ca 0.35 0.03 0.09 0.00 0.34 0.00 0.00 59.36 60.17 1k1c h GLU 75 Cb 0.21 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.91 1k1c h GLU 75 CO -0.19 -0.34 0.17 0.87 -1.16 0.00 0.00 179.01 178.36 1k1c h LYS 76 N -0.53 0.32 0.37 2.33 1.57 -1.05 0.28 116.57 119.86 1k1c h LYS 76 Ca -0.01 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1k1c h LYS 76 Cb 0.51 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1k1c h LYS 76 CO -0.15 0.21 -0.18 -0.07 -0.57 0.00 0.00 179.45 178.69 1k1c h LEU 77 N 0.33 -0.42 -2.30 2.94 -0.00 -1.45 0.40 115.31 114.81 1k1c h LEU 77 Ca 0.29 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 1k1c h LEU 77 Cb 0.38 0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1k1c h LEU 77 CO -0.32 -0.03 -0.03 0.00 -0.00 0.00 0.00 178.44 178.06 1k1c h ALA 78 N -0.48 1.52 0.28 1.53 0.00 -1.03 0.18 119.26 121.27 1k1c h ALA 78 Ca -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1k1c h ALA 78 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1k1c h ALA 78 CO 0.08 0.04 -0.14 0.00 0.00 0.00 0.00 179.25 179.23 1k1c h ALA 79 N 1.97 -0.38 0.01 0.00 0.00 -0.17 -3.30 119.26 117.38 1k1c h ALA 79 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1k1c h ALA 79 Cb 0.08 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1k1c h ALA 79 CO 0.00 -0.64 -0.00 -0.92 0.00 0.00 0.00 179.25 177.69 1k1c h TYR 80 N -0.54 -0.01 -1.35 0.00 5.03 0.40 -3.28 116.97 117.22 1k1c h TYR 80 Ca -0.04 -0.00 0.39 0.00 2.58 0.00 0.00 58.73 61.66 1k1c h TYR 80 Cb 0.40 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.61 1k1c h TYR 80 CO -0.02 0.55 0.96 -0.39 -1.32 0.00 0.00 178.16 177.94 1k1c h VAL 81 N -0.58 0.31 -0.01 1.81 -1.51 -0.80 -0.83 116.25 114.64 1k1c h VAL 81 Ca -0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1k1c h VAL 81 Cb 0.56 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 1k1c h VAL 81 CO 0.00 0.01 -0.55 0.00 -1.23 0.00 0.00 177.57 175.80 1k1c n GLN 82 N -4.21 1.80 0.14 5.19 10.64 -1.16 -0.02 117.38 129.77 1k1c n GLN 82 Ca 0.30 -0.37 -0.10 0.00 -1.83 0.00 0.00 57.00 55.00 1k1c n GLN 82 Cb 1.39 -1.25 -0.06 0.00 -0.86 0.00 0.00 30.24 29.46 1k1c n GLN 82 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 1k1c h GLU 83 N 0.83 -0.42 0.00 2.61 4.11 -1.20 -3.43 114.58 117.08 1k1c h GLU 83 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1k1c h GLU 83 Cb 0.45 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1k1c h GLU 83 CO 0.00 -0.14 0.00 -0.85 0.07 0.00 0.00 179.01 178.09 1k1c n GLU 84 N -5.07 0.00 0.00 1.06 0.00 -1.26 -5.12 120.64 110.24 1k1c n GLU 84 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.09 1k1c n GLU 84 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.68 1k1c n GLU 84 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68