#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 3.36 0.06 1.45 0.74 -1.26 -1.18 119.66 122.84 1k1c s GLN 3 Ca 0.00 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.74 1k1c s GLN 3 Cb 0.00 -2.72 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 1k1c s GLN 3 CO 0.00 0.09 -0.05 -1.14 -0.55 0.00 0.00 175.29 173.64 1k1c s GLN 4 N 0.68 0.65 0.05 1.67 -0.44 0.06 -4.93 119.66 117.40 1k1c s GLN 4 Ca -0.06 -1.10 -0.12 0.00 -2.50 0.00 0.00 55.36 51.58 1k1c s GLN 4 Cb -0.15 -0.07 0.01 0.00 -1.64 0.00 0.00 33.01 31.16 1k1c s GLN 4 CO 0.02 -0.03 0.26 -1.59 0.50 0.00 0.00 175.29 174.44 1k1c s LYS 5 N -3.12 0.78 -0.09 1.67 0.00 -1.26 -0.00 119.74 117.71 1k1c s LYS 5 Ca 0.03 -0.60 -0.01 0.00 0.00 0.00 0.00 55.97 55.38 1k1c s LYS 5 Cb 0.01 0.33 0.03 0.00 0.00 0.00 0.00 37.83 38.20 1k1c s LYS 5 CO -0.05 -0.24 -0.00 0.14 0.00 0.00 0.00 175.35 175.20 1k1c s VAL 6 N -2.72 0.48 0.40 1.79 -7.23 0.34 -4.87 120.40 108.59 1k1c s VAL 6 Ca -0.04 -0.03 -0.23 0.00 -1.81 0.00 0.00 61.98 59.88 1k1c s VAL 6 Cb -0.00 -0.67 -0.10 0.00 0.56 0.00 0.00 36.38 36.16 1k1c s VAL 6 CO -0.05 0.20 0.96 -1.83 -0.31 0.00 0.00 175.10 174.08 1k1c s GLU 7 N 1.92 4.31 0.20 4.82 -1.05 -1.26 -0.35 118.70 127.29 1k1c s GLU 7 Ca 0.04 1.23 -0.10 0.00 -0.15 0.00 0.00 54.97 55.99 1k1c s GLU 7 Cb -0.13 -2.40 -0.01 0.00 -0.44 0.00 0.00 34.13 31.16 1k1c s GLU 7 CO -0.06 0.03 0.35 0.14 0.95 0.00 0.00 175.26 176.67 1k1c s VAL 8 N -1.95 0.03 0.03 1.83 -7.23 0.27 -4.85 120.40 108.53 1k1c s VAL 8 Ca 0.58 -1.40 -0.30 0.00 -1.81 0.00 0.00 61.98 59.05 1k1c s VAL 8 Cb -0.14 -2.00 -0.06 0.00 0.56 0.00 0.00 36.38 34.74 1k1c s VAL 8 CO 0.18 -0.15 1.32 -0.60 -0.31 0.00 0.00 175.10 175.54 1k1c s ARG 9 N -4.00 4.33 -1.53 4.82 3.52 -1.26 0.08 118.95 124.91 1k1c s ARG 9 Ca 0.20 1.90 -0.10 0.00 -0.13 0.00 0.00 55.73 57.60 1k1c s ARG 9 Cb 0.02 -3.46 -0.07 0.00 -1.56 0.00 0.00 34.95 29.88 1k1c s ARG 9 CO 0.04 -0.46 2.78 -0.11 -0.81 0.00 0.00 175.30 176.74 1k1c n LEU 10 N 4.75 8.13 0.13 -0.88 7.94 0.88 -2.35 117.00 135.60 1k1c n LEU 10 Ca 0.12 -4.19 -0.00 0.00 -1.11 0.00 0.00 56.01 50.83 1k1c n LEU 10 Cb 0.44 -1.53 0.27 0.00 0.53 0.00 0.00 43.42 43.14 1k1c n LEU 10 CO 0.57 1.79 0.68 0.50 -1.11 0.00 0.00 177.39 179.82 1k1c h LYS 11 N 5.29 0.15 0.72 1.96 3.64 -0.46 0.36 116.57 128.23 1k1c h LYS 11 Ca 0.80 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 60.08 1k1c h LYS 11 Cb 0.32 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1k1c h LYS 11 CO 1.78 0.52 -0.43 1.79 -2.27 0.00 0.00 179.45 180.84 1k1c h THR 12 N 0.13 0.00 -0.69 1.00 1.35 -0.76 -3.40 112.91 110.54 1k1c h THR 12 Ca 0.01 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.78 1k1c h THR 12 Cb 0.75 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1k1c h THR 12 CO 0.06 0.00 -0.12 0.61 -0.25 0.00 0.00 175.52 175.81 1k1c n GLY 13 N -1.55 0.18 4.06 5.82 0.00 -0.86 -4.39 105.19 108.45 1k1c n GLY 13 Ca -0.13 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.69 -0.83 -3.45 0.99 7.99 -0.76 -3.75 117.00 116.50 1k1c n LEU 14 Ca -0.06 -1.24 -0.40 0.00 -0.01 0.00 0.00 56.01 54.30 1k1c n LEU 14 Cb 0.54 -1.75 -0.02 0.00 -0.11 0.00 0.00 43.42 42.08 1k1c n LEU 14 CO 0.07 0.69 2.92 0.00 -1.51 0.00 0.00 177.39 179.55 1k1c n GLN 15 N -4.83 3.87 0.00 3.23 6.02 -1.26 -4.59 117.38 119.82 1k1c n GLN 15 Ca -0.16 -2.73 0.00 0.00 -0.01 0.00 0.00 57.00 54.10 1k1c n GLN 15 Cb 0.60 -2.82 0.00 0.00 1.02 0.00 0.00 30.24 29.04 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 3.34 0.00 -0.09 -1.58 0.00 -1.26 -4.10 120.51 116.82 1k1c n ALA 16 Ca 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 54.10 1k1c n ALA 16 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 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 13.87 -0.09 0.00 0.00 3.00 -1.26 0.20 116.66 132.37 1k1c n ARG 17 Ca 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 57.85 58.19 1k1c n ARG 17 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 32.46 31.96 1k1c n ARG 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1k1c n PRO 18 N -4.09 0.00 0.00 -0.14 -0.04 -1.26 -0.17 135.00 129.30 1k1c n PRO 18 Ca 0.00 0.36 0.07 0.00 -0.04 0.00 0.00 63.50 63.89 1k1c n PRO 18 Cb 0.05 -1.19 0.32 0.00 -0.04 0.00 0.00 33.50 32.64 1k1c n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k1c n ALA 19 N -1.31 1.69 -0.18 0.55 0.00 -1.13 -0.56 120.51 119.57 1k1c n ALA 19 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 1k1c n ALA 19 Cb 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.22 1k1c n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k1c h ALA 20 N 2.53 0.70 -0.45 0.00 0.00 0.01 0.27 119.26 122.32 1k1c h ALA 20 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1k1c h ALA 20 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1k1c h ALA 20 CO 0.00 0.49 0.28 1.25 0.00 0.00 0.00 179.25 181.26 1k1c h LEU 21 N 0.77 0.47 -0.42 0.00 6.46 0.20 0.15 115.31 122.94 1k1c h LEU 21 Ca 0.15 -0.00 0.08 0.00 -0.12 0.00 0.00 57.88 57.99 1k1c h LEU 21 Cb 0.48 -0.11 -0.09 0.00 -0.73 0.00 0.00 40.66 40.21 1k1c h LEU 21 CO 0.02 0.33 -0.35 0.15 -0.62 0.00 0.00 178.44 177.98 1k1c h PHE 22 N 0.56 -0.98 -0.52 1.25 3.57 -0.76 0.36 116.94 120.43 1k1c h PHE 22 Ca 0.17 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.83 1k1c h PHE 22 Cb -0.02 0.49 -0.09 0.00 2.79 0.00 0.00 35.95 39.12 1k1c h PHE 22 CO -0.06 -0.40 0.00 0.28 -2.23 0.00 0.00 178.31 175.91 1k1c h VAL 23 N -0.26 0.59 -0.93 1.41 2.07 0.14 0.76 116.25 120.04 1k1c h VAL 23 Ca 0.17 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.67 1k1c h VAL 23 Cb 0.55 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1k1c h VAL 23 CO -0.56 0.02 0.61 -0.61 0.02 0.00 0.00 177.57 177.06 1k1c h GLN 24 N 0.12 1.17 0.03 1.57 -0.00 0.99 0.17 115.11 119.16 1k1c h GLN 24 Ca 0.26 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.65 58.84 1k1c h GLN 24 Cb 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 27.48 27.62 1k1c h GLN 24 CO -0.43 0.78 -0.01 0.93 0.00 0.00 0.00 178.83 180.09 1k1c h GLU 25 N 1.21 -0.03 -0.39 1.69 4.39 0.13 0.38 114.58 121.95 1k1c h GLU 25 Ca 0.36 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.14 1k1c h GLU 25 Cb -0.05 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.52 1k1c h GLU 25 CO -0.10 0.37 -0.17 0.00 -1.16 0.00 0.00 179.01 177.95 1k1c h ALA 26 N 0.51 0.13 -0.99 3.43 0.00 -0.76 -0.10 119.26 121.48 1k1c h ALA 26 Ca -0.00 0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.27 1k1c h ALA 26 Cb 0.42 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 1k1c h ALA 26 CO 0.01 -0.54 0.58 -0.91 0.00 0.00 0.00 179.25 178.39 1k1c h ASN 27 N -0.10 0.69 -1.00 0.00 2.35 -0.44 0.42 115.58 117.49 1k1c h ASN 27 Ca 0.19 0.12 0.20 0.00 -0.55 0.00 0.00 56.30 56.26 1k1c h ASN 27 Cb 0.40 0.01 -0.11 0.00 0.05 0.00 0.00 38.32 38.67 1k1c h ASN 27 CO -0.46 0.16 0.61 0.03 -1.65 0.00 0.00 177.43 176.12 1k1c h ARG 28 N 0.63 0.72 -6.65 0.81 3.08 0.17 -3.40 114.38 109.74 1k1c h ARG 28 Ca 0.61 -0.04 -0.51 0.00 0.07 0.00 0.00 59.98 60.11 1k1c h ARG 28 Cb 1.08 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 1k1c h ARG 28 CO -0.44 0.48 0.43 -0.06 -1.07 0.00 0.00 179.97 179.30 1k1c s PHE 29 N -5.84 3.70 -0.75 3.04 0.08 0.14 -4.92 117.98 113.43 1k1c s PHE 29 Ca -0.11 1.69 -0.07 0.00 0.12 0.00 0.00 56.93 58.56 1k1c s PHE 29 Cb 0.25 -3.18 -0.15 0.00 -0.57 0.00 0.00 43.02 39.37 1k1c s PHE 29 CO 0.80 -0.27 2.91 2.41 -0.10 0.00 0.00 175.22 180.97 1k1c n THR 30 N 2.32 3.18 -4.06 0.64 -1.04 -1.26 -4.79 114.28 109.25 1k1c n THR 30 Ca 0.02 -1.78 -0.14 0.00 -2.04 0.00 0.00 64.05 60.11 1k1c n THR 30 Cb 0.47 -2.21 -0.13 0.00 -1.82 0.00 0.00 70.33 66.64 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 2.38 0.55 -0.95 8.00 0.01 -1.26 0.19 113.70 122.62 1k1c s SER 31 Ca 0.59 -0.27 -0.24 0.00 1.31 0.00 0.00 55.95 57.34 1k1c s SER 31 Cb 0.21 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1k1c s SER 31 CO -0.03 -0.07 1.69 -0.62 0.41 0.00 0.00 173.24 174.62 1k1c s ASP 32 N -0.71 5.81 0.29 2.44 2.15 0.24 -4.60 116.67 122.29 1k1c s ASP 32 Ca -0.04 -1.01 -0.24 0.00 0.43 0.00 0.00 52.55 51.69 1k1c s ASP 32 Cb -0.05 -2.56 -0.09 0.00 -0.30 0.00 0.00 42.92 39.91 1k1c s ASP 32 CO -0.00 -2.13 0.87 -0.69 -0.17 0.00 0.00 175.17 173.06 1k1c s VAL 33 N 7.53 4.31 0.27 1.11 1.01 -1.26 -0.60 120.40 132.77 1k1c s VAL 33 Ca 0.58 1.67 0.02 0.00 0.00 0.00 0.00 61.98 64.25 1k1c s VAL 33 Cb -0.04 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1k1c s VAL 33 CO -0.04 0.19 0.09 -0.36 0.00 0.00 0.00 175.10 174.97 1k1c s PHE 34 N -1.56 1.61 -0.17 5.22 0.08 0.38 0.15 117.98 123.68 1k1c s PHE 34 Ca 0.47 -1.13 -0.07 0.00 0.12 0.00 0.00 56.93 56.32 1k1c s PHE 34 Cb -0.18 -0.96 0.08 0.00 -0.57 0.00 0.00 43.02 41.38 1k1c s PHE 34 CO 0.23 -0.27 0.36 -1.17 -0.10 0.00 0.00 175.22 174.28 1k1c s LEU 35 N -3.34 -0.39 -0.39 -0.37 0.20 0.63 -0.07 118.68 114.95 1k1c s LEU 35 Ca 0.37 0.84 0.03 0.00 0.69 0.00 0.00 54.13 56.06 1k1c s LEU 35 Cb 0.08 1.14 0.11 0.00 -0.43 0.00 0.00 46.19 47.08 1k1c s LEU 35 CO 0.14 -0.22 0.12 -1.61 -0.29 0.00 0.00 176.35 174.48 1k1c s GLU 36 N 2.26 1.66 -0.88 1.98 2.02 0.56 -0.16 118.70 126.15 1k1c s GLU 36 Ca -0.03 -2.04 -0.26 0.00 0.02 0.00 0.00 54.97 52.66 1k1c s GLU 36 Cb -0.11 -3.28 -0.14 0.00 0.10 0.00 0.00 34.13 30.70 1k1c s GLU 36 CO -0.11 -0.99 2.27 0.15 0.02 0.00 0.00 175.26 176.60 1k1c s LYS 37 N 0.66 1.69 -1.26 1.61 -0.14 0.86 -0.35 119.74 122.80 1k1c s LYS 37 Ca 0.12 0.15 -0.05 0.00 -1.36 0.00 0.00 55.97 54.83 1k1c s LYS 37 Cb -0.21 -4.88 0.03 0.00 -1.68 0.00 0.00 37.83 31.10 1k1c s LYS 37 CO -0.06 -4.48 0.31 -0.25 -0.76 0.00 0.00 175.35 170.11 1k1c n ASP 38 N 18.05 -4.27 0.00 2.83 8.00 0.12 -0.64 116.55 140.64 1k1c n ASP 38 Ca 0.45 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1k1c n ASP 38 Cb 0.44 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.99 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 -1.09 1.57 3.44 0.44 0.00 -0.99 -5.03 105.19 103.53 1k1c n GLY 39 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.13 2.10 -3.43 1.61 5.02 0.19 -4.85 118.16 118.68 1k1c n LYS 40 Ca 0.00 -2.60 -0.37 0.00 -2.02 0.00 0.00 58.31 53.32 1k1c n LYS 40 Cb 0.00 -3.51 -0.06 0.00 -0.02 0.00 0.00 35.03 31.44 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 5.40 3.96 0.28 1.97 2.36 -1.23 -0.10 119.74 132.38 1k1c s LYS 41 Ca 0.61 0.46 0.00 0.00 -2.55 0.00 0.00 55.97 54.49 1k1c s LYS 41 Cb 0.04 -3.09 -0.03 0.00 -1.05 0.00 0.00 37.83 33.70 1k1c s LYS 41 CO 0.10 0.59 0.28 0.14 1.55 0.00 0.00 175.35 178.01 1k1c s VAL 42 N -1.27 0.00 -0.59 4.02 -7.23 0.78 -4.91 120.40 111.20 1k1c s VAL 42 Ca 0.31 -1.86 -0.27 0.00 -1.81 0.00 0.00 61.98 58.34 1k1c s VAL 42 Cb -0.16 -2.50 -0.00 0.00 0.56 0.00 0.00 36.38 34.28 1k1c s VAL 42 CO 0.17 0.00 1.61 0.21 -0.31 0.00 0.00 175.10 176.78 1k1c s ASN 43 N -3.23 5.77 0.29 4.85 3.84 -1.26 -0.27 114.94 124.92 1k1c s ASN 43 Ca 0.36 0.27 0.03 0.00 0.21 0.00 0.00 52.86 53.74 1k1c s ASN 43 Cb 0.03 -2.54 0.71 0.00 -0.55 0.00 0.00 41.25 38.90 1k1c s ASN 43 CO 0.19 -2.00 1.70 0.00 -2.79 0.00 0.00 177.10 174.19 1k1c h ALA 44 N 12.62 1.41 -0.00 1.71 0.00 -0.46 0.46 119.26 134.99 1k1c h ALA 44 Ca -0.27 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1k1c h ALA 44 Cb 1.12 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1k1c h ALA 44 CO 1.20 -0.33 -0.16 0.36 0.00 0.00 0.00 179.25 180.32 1k1c n LYS 45 N -5.04 0.40 -3.56 0.00 2.85 -1.25 -3.57 118.16 107.99 1k1c n LYS 45 Ca 0.22 -0.14 -0.20 0.00 -1.05 0.00 0.00 58.31 57.14 1k1c n LYS 45 Cb 0.64 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.51 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 -2.69 5.77 0.20 -5.58 0.01 0.09 -4.77 113.70 106.73 1k1c s SER 46 Ca 0.22 -0.28 -0.20 0.00 1.31 0.00 0.00 55.95 57.00 1k1c s SER 46 Cb 0.19 -1.15 0.14 0.00 0.21 0.00 0.00 66.02 65.42 1k1c s SER 46 CO 0.53 -0.41 1.47 0.00 0.41 0.00 0.00 173.24 175.23 1k1c n ILE 47 N -1.57 -0.54 0.26 1.44 0.00 -1.26 -0.34 119.36 117.35 1k1c n ILE 47 Ca -0.01 2.24 0.13 0.00 0.00 0.00 0.00 62.75 65.12 1k1c n ILE 47 Cb 0.59 -2.91 0.67 0.00 0.00 0.00 0.00 39.64 37.99 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 -0.01 9.51 4.05 -1.95 0.70 114.93 127.24 1k1c h MET 48 Ca 0.28 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.68 1k1c h MET 48 Cb 0.52 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 1k1c h MET 48 CO -0.93 0.13 -0.09 0.78 0.23 0.00 0.00 176.91 177.04 1k1c h GLY 49 N 1.32 0.08 0.00 1.39 0.00 0.04 -0.05 103.07 105.85 1k1c h GLY 49 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1k1c h GLY 49 CO 0.02 0.11 0.00 -0.10 0.00 0.00 0.00 176.54 176.57 1k1c n LEU 50 N -4.66 1.41 -0.25 3.11 0.00 0.09 0.03 117.00 116.73 1k1c n LEU 50 Ca -0.09 0.23 -0.01 0.00 0.00 0.00 0.00 56.01 56.13 1k1c n LEU 50 Cb 0.41 0.00 0.18 0.00 0.00 0.00 0.00 43.42 44.01 1k1c n LEU 50 CO 0.36 0.00 1.20 -0.03 0.00 0.00 0.00 177.39 178.91 1k1c h MET 51 N 0.00 1.08 0.00 1.96 4.05 0.15 0.42 114.93 122.58 1k1c h MET 51 Ca 0.00 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1k1c h MET 51 Cb 0.00 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.57 1k1c h MET 51 CO 0.00 0.76 0.00 0.43 0.23 0.00 0.00 176.91 178.33 1k1c n SER 52 N -4.37 0.00 -0.07 1.39 7.64 -0.79 -4.35 113.62 113.07 1k1c n SER 52 Ca 0.08 0.14 -0.10 0.00 1.01 0.00 0.00 58.87 60.00 1k1c n SER 52 Cb 0.07 -0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.28 -3.43 4.07 -1.05 -3.34 115.31 110.29 1k1c h LEU 53 Ca 0.00 -0.59 0.00 0.00 0.08 0.00 0.00 57.88 57.37 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 0.90 0.00 0.00 -1.08 0.00 0.00 178.44 178.26 1k1c n ALA 54 N -2.81 1.12 0.32 1.53 0.00 0.11 -1.11 120.51 119.66 1k1c n ALA 54 Ca -0.10 0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.57 1k1c n ALA 54 Cb 0.35 -1.31 0.22 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.22 1.33 -1.57 0.00 3.14 0.13 -1.83 118.33 117.30 1k1c n VAL 55 Ca -0.01 0.35 -0.41 0.00 -2.96 0.00 0.00 64.34 61.30 1k1c n VAL 55 Cb 0.06 -1.20 -0.01 0.00 -1.06 0.00 0.00 33.84 31.63 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 -1.56 4.20 -4.47 6.55 7.64 -0.26 -4.50 113.62 121.22 1k1c n SER 56 Ca 0.02 -2.77 -0.61 0.00 1.01 0.00 0.00 58.87 56.51 1k1c n SER 56 Cb 0.11 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 61.66 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 5.06 0.05 -0.26 0.44 -1.04 -1.19 -1.12 114.28 116.22 1k1c n THR 57 Ca 0.54 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 1k1c n THR 57 Cb 0.37 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 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 6.00 0.85 3.66 3.41 0.00 0.12 -4.87 105.19 114.36 1k1c n GLY 58 Ca 0.43 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 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 5.10 -0.51 2.61 2.01 -0.28 -4.66 115.64 117.91 1k1c s THR 59 Ca 0.00 0.08 -0.27 0.00 0.31 0.00 0.00 61.69 61.81 1k1c s THR 59 Cb 0.00 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1k1c s THR 59 CO 0.00 0.41 1.85 -1.61 -0.69 0.00 0.00 174.62 174.58 1k1c s GLU 60 N 0.64 2.86 -0.04 4.92 0.41 -1.25 -0.08 118.70 126.15 1k1c s GLU 60 Ca 0.06 0.90 0.07 0.00 -0.41 0.00 0.00 54.97 55.59 1k1c s GLU 60 Cb -0.12 -4.32 -0.02 0.00 -1.78 0.00 0.00 34.13 27.89 1k1c s GLU 60 CO 0.01 -2.45 -0.25 0.14 -0.49 0.00 0.00 175.26 172.23 1k1c s VAL 61 N 8.40 1.99 -0.35 2.63 -7.23 0.11 0.11 120.40 126.06 1k1c s VAL 61 Ca 0.72 -1.06 -0.28 0.00 -1.81 0.00 0.00 61.98 59.56 1k1c s VAL 61 Cb -0.16 -1.66 0.02 0.00 0.56 0.00 0.00 36.38 35.14 1k1c s VAL 61 CO 0.25 0.56 1.02 -0.89 -0.31 0.00 0.00 175.10 175.73 1k1c s THR 62 N -0.39 4.51 -0.43 5.32 2.01 0.53 -0.56 115.64 126.62 1k1c s THR 62 Ca 0.04 1.47 -0.27 0.00 0.31 0.00 0.00 61.69 63.24 1k1c s THR 62 Cb -0.11 -4.40 0.02 0.00 0.01 0.00 0.00 72.50 68.02 1k1c s THR 62 CO 0.01 -0.55 1.01 -0.22 -0.69 0.00 0.00 174.62 174.18 1k1c s LEU 63 N 3.65 3.87 0.33 4.42 1.98 0.53 -0.32 118.68 133.14 1k1c s LEU 63 Ca 0.43 0.42 0.07 0.00 -2.89 0.00 0.00 54.13 52.15 1k1c s LEU 63 Cb -0.12 -3.36 -0.01 0.00 0.66 0.00 0.00 46.19 43.36 1k1c s LEU 63 CO 0.18 -1.06 0.42 -0.63 -1.89 0.00 0.00 176.35 173.37 1k1c s ILE 64 N 3.91 4.00 -0.26 6.68 1.01 0.90 -0.50 121.20 136.93 1k1c s ILE 64 Ca 0.42 -1.09 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 1k1c s ILE 64 Cb -0.10 -3.38 0.08 0.00 0.01 0.00 0.00 42.46 39.08 1k1c s ILE 64 CO 0.25 -0.17 0.64 0.00 0.00 0.00 0.00 174.94 175.66 1k1c s ALA 65 N -2.20 -1.75 -0.57 9.38 0.00 0.99 -0.47 121.76 127.15 1k1c s ALA 65 Ca 0.44 2.26 0.07 0.00 0.00 0.00 0.00 51.96 54.72 1k1c s ALA 65 Cb -0.09 -1.38 0.25 0.00 0.00 0.00 0.00 23.12 21.90 1k1c s ALA 65 CO 0.30 -0.42 0.68 0.00 0.00 0.00 0.00 175.76 176.32 1k1c n GLN 66 N 4.44 1.99 -1.09 0.00 10.64 0.23 -0.76 117.38 132.82 1k1c n GLN 66 Ca -0.20 -4.25 0.00 0.00 -1.83 0.00 0.00 57.00 50.72 1k1c n GLN 66 Cb 0.57 -1.96 0.00 0.00 -0.86 0.00 0.00 30.24 27.99 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 1.04 2.20 0.31 2.61 0.00 -0.33 -0.59 105.19 110.43 1k1c n GLY 67 Ca 0.27 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 0.32 -2.10 1.61 4.39 -0.56 -0.11 114.58 118.13 1k1c h GLU 68 Ca 0.00 -0.02 -0.68 0.00 0.34 0.00 0.00 59.36 59.00 1k1c h GLU 68 Cb 0.00 -0.07 -0.35 0.00 -0.10 0.00 0.00 28.75 28.22 1k1c h GLU 68 CO 0.00 0.21 0.08 -0.25 -1.16 0.00 0.00 179.01 177.89 1k1c n ASP 69 N -5.11 5.82 0.00 1.42 8.00 -1.26 -4.85 116.55 120.57 1k1c n ASP 69 Ca 0.22 -3.72 0.00 0.00 0.71 0.00 0.00 54.79 52.00 1k1c n ASP 69 Cb 0.66 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 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 -0.28 0.00 -0.23 -1.24 0.28 -0.06 -0.60 120.64 118.52 1k1c n GLU 70 Ca 0.40 0.38 0.03 0.00 -0.16 0.00 0.00 57.16 57.82 1k1c n GLU 70 Cb 0.38 -1.35 0.15 0.00 1.43 0.00 0.00 31.44 32.05 1k1c n GLU 70 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1k1c h GLN 71 N 0.00 0.24 0.16 3.44 1.08 -1.85 0.11 115.11 118.30 1k1c h GLN 71 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1k1c h GLN 71 Cb 0.00 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1k1c h GLN 71 CO 0.00 0.16 -0.15 1.49 -0.95 0.00 0.00 178.83 179.38 1k1c h GLU 72 N 0.25 -0.33 0.94 1.46 4.57 -1.92 -0.67 114.58 118.89 1k1c h GLU 72 Ca 0.37 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.53 1k1c h GLU 72 Cb 0.61 0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1k1c h GLU 72 CO -0.48 -0.22 -0.45 0.00 -1.18 0.00 0.00 179.01 176.68 1k1c h ALA 73 N 0.47 -1.31 -0.60 2.92 0.00 -0.05 -2.36 119.26 118.33 1k1c h ALA 73 Ca 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.76 1k1c h ALA 73 Cb 0.32 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 1k1c h ALA 73 CO -0.04 -1.22 -0.03 1.37 0.00 0.00 0.00 179.25 179.33 1k1c h LEU 74 N -1.29 -0.33 0.69 0.00 8.10 -0.80 -0.51 115.31 121.17 1k1c h LEU 74 Ca -0.13 0.16 -0.03 0.00 0.11 0.00 0.00 57.88 57.98 1k1c h LEU 74 Cb 0.97 0.29 0.01 0.00 -0.44 0.00 0.00 40.66 41.48 1k1c h LEU 74 CO 0.21 -0.13 -0.33 -0.33 -4.11 0.00 0.00 178.44 173.75 1k1c h GLU 75 N 0.09 -0.90 -0.48 0.17 4.39 -1.11 -0.94 114.58 115.80 1k1c h GLU 75 Ca 0.31 0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.98 1k1c h GLU 75 Cb 0.49 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1k1c h GLU 75 CO -0.54 -0.57 -0.07 1.57 -1.16 0.00 0.00 179.01 178.24 1k1c h LYS 76 N -1.05 0.85 -0.06 2.33 2.10 -1.14 0.55 116.57 120.16 1k1c h LYS 76 Ca -0.10 -0.27 -0.01 0.00 -2.00 0.00 0.00 60.65 58.27 1k1c h LYS 76 Cb 0.74 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.99 1k1c h LYS 76 CO 0.16 0.89 -0.02 -0.07 -2.00 0.00 0.00 179.45 178.41 1k1c h LEU 77 N 0.78 0.12 -1.25 7.07 -0.00 -1.12 0.68 115.31 121.59 1k1c h LEU 77 Ca 0.14 -0.37 0.02 0.00 -0.00 0.00 0.00 57.88 57.66 1k1c h LEU 77 Cb 0.56 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.15 1k1c h LEU 77 CO 0.03 0.46 0.52 0.00 -0.00 0.00 0.00 178.44 179.45 1k1c h ALA 78 N 0.66 1.48 0.10 1.53 0.00 -1.05 -0.37 119.26 121.61 1k1c h ALA 78 Ca 0.01 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1k1c h ALA 78 Cb 0.41 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1k1c h ALA 78 CO 0.01 0.46 -0.40 0.00 0.00 0.00 0.00 179.25 179.32 1k1c h ALA 79 N 1.53 -0.68 -0.57 0.00 0.00 -0.59 -2.75 119.26 116.20 1k1c h ALA 79 Ca 0.30 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.25 1k1c h ALA 79 Cb -0.05 0.67 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 1k1c h ALA 79 CO -0.07 -0.95 0.08 -0.92 0.00 0.00 0.00 179.25 177.39 1k1c h TYR 80 N -0.62 0.12 0.00 0.00 5.03 0.01 0.55 116.97 122.06 1k1c h TYR 80 Ca 0.03 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.34 1k1c h TYR 80 Cb 0.65 0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.96 1k1c h TYR 80 CO -0.36 -0.06 -0.16 -0.39 -1.32 0.00 0.00 178.16 175.87 1k1c h VAL 81 N 0.21 0.72 0.00 1.81 -1.51 -0.81 -3.35 116.25 113.32 1k1c h VAL 81 Ca 0.29 -0.67 -0.06 0.00 -1.23 0.00 0.00 66.70 65.04 1k1c h VAL 81 Cb 0.44 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 1k1c h VAL 81 CO -0.41 0.16 -1.21 0.00 -1.23 0.00 0.00 177.57 174.88 1k1c n GLN 82 N -3.77 2.44 -0.04 5.19 10.64 -0.84 0.28 117.38 131.28 1k1c n GLN 82 Ca -0.02 0.01 -0.01 0.00 -1.83 0.00 0.00 57.00 55.15 1k1c n GLN 82 Cb 0.27 -1.08 -0.01 0.00 -0.86 0.00 0.00 30.24 28.56 1k1c n GLN 82 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1k1c n GLU 83 N -2.27 -0.05 0.00 2.61 0.00 0.13 -4.54 120.64 116.52 1k1c n GLU 83 Ca -0.06 0.72 0.00 0.00 0.00 0.00 0.00 57.16 57.83 1k1c n GLU 83 Cb 0.59 -1.08 0.00 0.00 0.00 0.00 0.00 31.44 30.95 1k1c n GLU 83 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1k1c n GLU 84 N -3.01 0.00 0.00 5.31 0.00 -1.26 -5.13 120.64 116.55 1k1c n GLU 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1k1c n GLU 84 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.47 1k1c n GLU 84 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46