#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkm s GLN 3 N 0.00 0.38 -0.04 0.00 0.74 -1.26 -1.63 119.66 117.85 1kkm s GLN 3 Ca 0.00 0.89 -0.01 0.00 0.05 0.00 0.00 55.36 56.29 1kkm s GLN 3 Cb 0.00 0.11 0.03 0.00 1.10 0.00 0.00 33.01 34.24 1kkm s GLN 3 CO 0.00 -0.19 0.04 0.15 -0.55 0.00 0.00 175.29 174.74 1kkm s LYS 4 N 1.84 0.07 -0.21 1.67 -0.14 -0.78 -5.03 119.74 117.16 1kkm s LYS 4 Ca -0.07 0.27 -0.15 0.00 -1.36 0.00 0.00 55.97 54.66 1kkm s LYS 4 Cb -0.10 -0.53 -0.04 0.00 -1.68 0.00 0.00 37.83 35.49 1kkm s LYS 4 CO -0.13 -0.28 0.37 0.99 -0.76 0.00 0.00 175.35 175.55 1kkm s THR 5 N 1.82 5.21 0.28 2.17 2.01 -1.26 -2.33 115.64 123.54 1kkm s THR 5 Ca 0.01 0.65 0.09 0.00 0.31 0.00 0.00 61.69 62.74 1kkm s THR 5 Cb -0.12 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1kkm s THR 5 CO -0.03 0.25 0.09 -0.36 -0.69 0.00 0.00 174.62 173.88 1kkm s PHE 6 N 1.34 2.80 -0.26 4.92 0.08 -0.52 -5.00 117.98 121.35 1kkm s PHE 6 Ca 0.18 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 56.99 1kkm s PHE 6 Cb -0.15 -1.38 0.05 0.00 -0.57 0.00 0.00 43.02 40.97 1kkm s PHE 6 CO 0.08 0.51 -0.09 -1.59 -0.10 0.00 0.00 175.22 174.03 1kkm s LYS 7 N -3.77 2.47 0.01 0.44 -2.85 0.27 -2.03 119.74 114.27 1kkm s LYS 7 Ca 0.34 -1.21 -0.30 0.00 -1.00 0.00 0.00 55.97 53.80 1kkm s LYS 7 Cb -0.06 -2.94 -0.07 0.00 -2.06 0.00 0.00 37.83 32.70 1kkm s LYS 7 CO 0.22 -0.51 1.75 0.08 0.10 0.00 0.00 175.35 176.98 1kkm s VAL 8 N 1.19 3.25 -0.74 1.79 1.01 0.13 -1.81 120.40 125.23 1kkm s VAL 8 Ca -0.05 0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.43 1kkm s VAL 8 Cb -0.19 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 32.98 1kkm s VAL 8 CO -0.05 -0.03 0.75 0.35 0.00 0.00 0.00 175.10 176.12 1kkm n THR 9 N 5.29 0.11 -1.96 3.92 -2.24 0.32 -1.15 114.28 118.57 1kkm n THR 9 Ca 0.18 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 1kkm n THR 9 Cb 0.42 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 1kkm n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kkm s ALA 10 N -0.57 3.72 0.44 6.98 0.00 -0.28 -4.87 121.76 127.19 1kkm s ALA 10 Ca 0.08 1.27 0.18 0.00 0.00 0.00 0.00 51.96 53.48 1kkm s ALA 10 Cb 0.05 -3.64 1.11 0.00 0.00 0.00 0.00 23.12 20.65 1kkm s ALA 10 CO 0.08 -0.89 2.01 0.22 0.00 0.00 0.00 175.76 177.18 1kkm h ASP 11 N 7.41 0.00 -0.57 0.00 3.58 -1.92 -2.50 116.42 122.42 1kkm h ASP 11 Ca -0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.03 1kkm h ASP 11 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1kkm h ASP 11 CO 0.91 0.17 0.00 -1.20 -2.88 0.00 0.00 179.24 176.25 1kkm n SER 12 N -4.15 4.60 -1.03 2.28 7.64 -1.26 -4.72 113.62 116.98 1kkm n SER 12 Ca -0.02 -2.52 0.10 0.00 1.01 0.00 0.00 58.87 57.44 1kkm n SER 12 Cb 0.24 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 1kkm n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kkm n GLY 13 N 0.84 -1.69 3.50 0.23 0.00 -0.94 -4.23 105.19 102.90 1kkm n GLY 13 Ca 0.24 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 1kkm n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kkm s ILE 14 N -1.26 4.63 0.20 -0.61 -1.09 0.19 -4.91 121.20 118.35 1kkm s ILE 14 Ca 0.00 -2.15 0.01 0.00 -2.23 0.00 0.00 60.65 56.29 1kkm s ILE 14 Cb 0.00 -4.99 0.04 0.00 -1.58 0.00 0.00 42.46 35.92 1kkm s ILE 14 CO 0.00 -1.76 0.27 0.00 -1.23 0.00 0.00 174.94 172.23 1kkm n HIS 15 N 6.84 -3.06 -0.03 3.97 1.44 -1.26 -4.58 115.22 118.54 1kkm n HIS 15 Ca 0.39 -0.57 -0.01 0.00 -2.01 0.00 0.00 57.72 55.52 1kkm n HIS 15 Cb 0.45 -0.20 -0.01 0.00 0.12 0.00 0.00 29.99 30.36 1kkm n HIS 15 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1kkm n ALA 16 N -2.90 -0.04 0.07 1.59 0.00 -1.26 -0.72 120.51 117.25 1kkm n ALA 16 Ca -0.05 0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 1kkm n ALA 16 Cb 0.18 0.24 -0.09 0.00 0.00 0.00 0.00 19.45 19.77 1kkm n ALA 16 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1kkm h ARG 17 N 0.00 -0.63 -0.35 0.00 -0.00 -1.98 -1.13 114.38 110.29 1kkm h ARG 17 Ca 0.01 0.04 0.00 0.00 -0.00 0.00 0.00 59.98 60.04 1kkm h ARG 17 Cb 0.03 0.14 -0.02 0.00 -0.00 0.00 0.00 29.97 30.12 1kkm h ARG 17 CO -0.07 -0.42 0.23 -1.00 -0.00 0.00 0.00 179.97 178.72 1kkm h PRO 18 N -0.65 0.46 -1.00 0.08 0.13 -1.84 -1.65 132.00 127.54 1kkm h PRO 18 Ca 0.00 -0.03 0.27 0.00 -0.87 0.00 0.00 66.00 65.37 1kkm h PRO 18 Cb 0.68 -0.10 -0.13 0.00 0.13 0.00 0.00 31.00 31.57 1kkm h PRO 18 CO -0.30 0.31 0.58 0.00 -0.23 0.00 0.00 178.00 178.36 1kkm h ALA 19 N 1.13 1.82 -0.89 -0.56 0.00 -0.68 0.19 119.26 120.27 1kkm h ALA 19 Ca 0.13 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1kkm h ALA 19 Cb -0.06 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1kkm h ALA 19 CO -0.03 -0.37 0.00 2.41 0.00 0.00 0.00 179.25 181.27 1kkm n THR 20 N -4.95 0.00 -0.35 0.00 -1.04 -0.45 -1.18 114.28 106.31 1kkm n THR 20 Ca 0.28 1.34 0.25 0.00 -2.04 0.00 0.00 64.05 63.88 1kkm n THR 20 Cb 0.82 -2.34 0.50 0.00 -1.82 0.00 0.00 70.33 67.49 1kkm n THR 20 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1kkm h VAL 21 N 0.00 0.36 -0.30 12.58 3.04 -1.07 0.14 116.25 131.00 1kkm h VAL 21 Ca 0.00 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 1kkm h VAL 21 Cb 0.00 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.26 1kkm h VAL 21 CO 0.00 0.06 0.15 0.25 -1.01 0.00 0.00 177.57 177.02 1kkm h LEU 22 N 0.33 0.39 -0.23 3.16 5.85 -0.54 -2.40 115.31 121.88 1kkm h LEU 22 Ca 0.70 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 59.28 1kkm h LEU 22 Cb 1.74 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.66 1kkm h LEU 22 CO -0.47 0.40 -0.12 -0.37 -0.34 0.00 0.00 178.44 177.53 1kkm h VAL 23 N 0.35 0.22 -0.28 1.05 -1.51 0.71 -2.90 116.25 113.90 1kkm h VAL 23 Ca 0.10 -1.21 -0.14 0.00 -1.23 0.00 0.00 66.70 64.22 1kkm h VAL 23 Cb 0.11 2.02 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 1kkm h VAL 23 CO -0.01 0.12 -0.40 1.56 -1.23 0.00 0.00 177.57 177.60 1kkm h GLN 24 N 0.00 0.66 -0.28 5.19 4.20 -0.92 -0.16 115.11 123.80 1kkm h GLN 24 Ca -0.00 -0.34 -0.04 0.00 0.06 0.00 0.00 58.65 58.33 1kkm h GLN 24 Cb 1.01 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 1kkm h GLN 24 CO 0.02 0.94 0.03 1.15 -0.67 0.00 0.00 178.83 180.29 1kkm h THR 25 N 0.54 1.24 -0.69 -0.54 2.02 -1.36 -2.84 112.91 111.28 1kkm h THR 25 Ca 0.05 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1kkm h THR 25 Cb 0.93 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 1kkm h THR 25 CO 0.08 0.27 0.44 0.00 0.37 0.00 0.00 175.52 176.69 1kkm h ALA 26 N 0.85 0.88 -0.47 6.16 0.00 -1.32 -2.54 119.26 122.82 1kkm h ALA 26 Ca 0.08 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1kkm h ALA 26 Cb 0.38 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1kkm h ALA 26 CO 0.01 0.32 0.33 0.77 0.00 0.00 0.00 179.25 180.68 1kkm h SER 27 N 0.94 0.00 0.19 0.00 0.02 -0.82 -2.09 113.55 111.80 1kkm h SER 27 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1kkm h SER 27 Cb -0.08 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1kkm h SER 27 CO -0.05 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.93 1kkm n LYS 28 N -4.40 0.22 -4.44 3.45 5.02 -0.95 -4.77 118.16 112.28 1kkm n LYS 28 Ca 0.08 0.14 -0.29 0.00 -2.02 0.00 0.00 58.31 56.22 1kkm n LYS 28 Cb 0.54 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.92 1kkm n LYS 28 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1kkm s TYR 29 N -2.46 2.26 0.10 2.13 1.51 -0.79 -5.04 117.35 115.06 1kkm s TYR 29 Ca 0.13 -0.39 -0.16 0.00 -1.01 0.00 0.00 57.07 55.64 1kkm s TYR 29 Cb 0.08 -1.24 -0.06 0.00 -0.11 0.00 0.00 41.96 40.63 1kkm s TYR 29 CO 0.18 0.30 1.51 -0.44 -1.11 0.00 0.00 175.55 175.99 1kkm h ASP 30 N 4.01 0.59 -3.19 2.29 3.45 -1.87 -3.45 116.42 118.26 1kkm h ASP 30 Ca -0.50 -0.35 -0.56 0.00 0.43 0.00 0.00 57.03 56.05 1kkm h ASP 30 Cb 1.17 -0.16 0.19 0.00 -0.56 0.00 0.00 39.33 39.97 1kkm h ASP 30 CO 0.40 0.81 -0.49 0.00 -1.57 0.00 0.00 179.24 178.38 1kkm n ALA 31 N -2.40 -1.87 -2.49 3.45 0.00 -1.26 -4.93 120.51 111.00 1kkm n ALA 31 Ca -0.03 -0.32 -0.39 0.00 0.00 0.00 0.00 53.44 52.70 1kkm n ALA 31 Cb 0.31 -1.81 -0.05 0.00 0.00 0.00 0.00 19.45 17.90 1kkm n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1kkm s ASP 32 N -1.55 7.02 -0.15 0.00 1.01 0.75 -4.80 116.67 118.96 1kkm s ASP 32 Ca 0.63 1.22 0.01 0.00 0.71 0.00 0.00 52.55 55.12 1kkm s ASP 32 Cb -0.32 -2.39 0.02 0.00 1.01 0.00 0.00 42.92 41.24 1kkm s ASP 32 CO 0.61 0.07 -0.18 -0.69 0.21 0.00 0.00 175.17 175.18 1kkm s VAL 33 N -0.08 1.83 0.43 -1.27 1.01 -1.26 -0.86 120.40 120.20 1kkm s VAL 33 Ca 0.33 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1kkm s VAL 33 Cb -0.19 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1kkm s VAL 33 CO 0.18 0.50 0.37 0.20 0.00 0.00 0.00 175.10 176.35 1kkm s ASN 34 N 1.15 4.95 -0.10 3.32 0.02 0.78 0.22 114.94 125.28 1kkm s ASN 34 Ca -0.01 -0.82 -0.04 0.00 -1.02 0.00 0.00 52.86 50.98 1kkm s ASN 34 Cb -0.14 -0.48 0.05 0.00 0.02 0.00 0.00 41.25 40.71 1kkm s ASN 34 CO -0.07 -0.68 0.21 -0.22 0.02 0.00 0.00 177.10 176.35 1kkm s LEU 35 N -4.13 -0.13 -0.04 0.60 0.20 -0.41 -1.96 118.68 112.81 1kkm s LEU 35 Ca 0.47 0.45 0.02 0.00 0.69 0.00 0.00 54.13 55.75 1kkm s LEU 35 Cb -0.02 0.48 -0.03 0.00 -0.43 0.00 0.00 46.19 46.18 1kkm s LEU 35 CO 0.27 -0.24 -0.07 -0.70 -0.29 0.00 0.00 176.35 175.33 1kkm s GLU 36 N 2.27 2.69 -0.36 1.98 -6.30 0.13 -0.28 118.70 118.82 1kkm s GLU 36 Ca 0.01 -0.60 0.04 0.00 -2.50 0.00 0.00 54.97 51.92 1kkm s GLU 36 Cb -0.12 -2.56 0.16 0.00 0.00 0.00 0.00 34.13 31.61 1kkm s GLU 36 CO -0.07 0.64 0.46 -0.47 0.02 0.00 0.00 175.26 175.85 1kkm s TYR 37 N -0.88 -0.90 -0.35 5.30 5.04 0.27 -1.54 117.35 124.30 1kkm s TYR 37 Ca 0.14 -0.24 -0.02 0.00 -2.44 0.00 0.00 57.07 54.52 1kkm s TYR 37 Cb -0.11 -0.13 -0.02 0.00 0.35 0.00 0.00 41.96 42.05 1kkm s TYR 37 CO 0.04 -1.04 0.31 0.09 -1.34 0.00 0.00 175.55 173.61 1kkm n ASN 38 N 4.54 -3.72 0.00 4.32 4.13 -1.26 -3.96 115.26 119.32 1kkm n ASN 38 Ca 0.09 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.14 1kkm n ASN 38 Cb 0.50 -2.23 0.00 0.00 -1.54 0.00 0.00 39.78 36.50 1kkm n ASN 38 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kkm n GLY 39 N -1.38 1.80 3.64 7.41 0.00 -1.26 -4.90 105.19 110.49 1kkm n GLY 39 Ca -0.02 -0.01 -0.51 0.00 0.00 0.00 0.00 46.02 45.48 1kkm n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kkm n LYS 40 N 0.00 1.51 -4.42 1.61 5.02 -1.25 -4.97 118.16 115.65 1kkm n LYS 40 Ca 0.00 0.55 -0.19 0.00 -2.02 0.00 0.00 58.31 56.64 1kkm n LYS 40 Cb 0.00 -2.25 -0.15 0.00 -0.02 0.00 0.00 35.03 32.62 1kkm n LYS 40 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1kkm s THR 41 N 1.30 0.80 0.40 -0.18 -1.32 -1.26 -0.56 115.64 114.82 1kkm s THR 41 Ca 0.85 -0.46 0.04 0.00 -1.21 0.00 0.00 61.69 60.91 1kkm s THR 41 Cb -0.87 -0.68 -0.03 0.00 -1.51 0.00 0.00 72.50 69.41 1kkm s THR 41 CO 0.47 0.21 0.13 0.68 -2.21 0.00 0.00 174.62 173.90 1kkm s VAL 42 N -0.28 0.59 -0.25 5.08 -7.23 0.62 -4.93 120.40 114.00 1kkm s VAL 42 Ca 0.04 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.97 1kkm s VAL 42 Cb -0.04 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 1kkm s VAL 42 CO -0.00 0.00 0.80 0.21 -0.31 0.00 0.00 175.10 175.79 1kkm s ASN 43 N -3.59 6.79 0.00 4.85 3.84 -1.26 -1.29 114.94 124.28 1kkm s ASN 43 Ca 0.25 0.97 0.21 0.00 0.21 0.00 0.00 52.86 54.50 1kkm s ASN 43 Cb 0.03 -2.42 1.01 0.00 -0.55 0.00 0.00 41.25 39.32 1kkm s ASN 43 CO 0.15 -0.49 1.68 -0.11 -2.79 0.00 0.00 177.10 175.53 1kkm n LEU 44 N 5.96 0.00 -1.65 3.21 0.00 0.13 -4.48 117.00 120.18 1kkm n LEU 44 Ca 0.05 0.36 -0.13 0.00 0.00 0.00 0.00 56.01 56.29 1kkm n LEU 44 Cb 0.48 -0.36 0.09 0.00 0.00 0.00 0.00 43.42 43.62 1kkm n LEU 44 CO 0.47 -0.11 0.93 0.29 0.00 0.00 0.00 177.39 178.97 1kkm n LYS 45 N -1.36 1.65 0.01 1.96 5.02 -1.26 -4.28 118.16 119.90 1kkm n LYS 45 Ca 0.08 -1.53 0.00 0.00 -2.02 0.00 0.00 58.31 54.85 1kkm n LYS 45 Cb 0.20 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1kkm n LYS 45 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1kkm n ILE 47 N -0.26 0.00 -0.23 -0.18 0.13 -1.26 -4.90 119.36 112.65 1kkm n ILE 47 Ca 0.30 0.00 0.10 0.00 -1.10 0.00 0.00 62.75 62.06 1kkm n ILE 47 Cb 1.04 0.00 0.20 0.00 -0.84 0.00 0.00 39.64 40.04 1kkm n ILE 47 CO 0.00 0.00 0.00 0.23 2.80 0.00 0.00 176.55 179.58 1kkm n MET 48 N -2.48 -0.05 0.07 9.51 2.81 -1.26 -1.74 117.12 123.98 1kkm n MET 48 Ca 0.00 1.00 -0.14 0.00 -1.81 0.00 0.00 57.70 56.75 1kkm n MET 48 Cb 0.00 -1.59 -0.07 0.00 -0.71 0.00 0.00 33.22 30.85 1kkm n MET 48 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1kkm h GLY 49 N 0.00 -0.80 -0.15 3.03 0.00 -1.98 0.22 103.07 103.39 1kkm h GLY 49 Ca 0.41 0.51 0.05 0.00 0.00 0.00 0.00 47.33 48.31 1kkm h GLY 49 CO -0.62 -0.25 -0.45 -2.08 0.00 0.00 0.00 176.54 173.13 1kkm h VAL 50 N -0.59 0.10 -0.01 4.60 2.07 -1.57 -0.45 116.25 120.39 1kkm h VAL 50 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1kkm h VAL 50 Cb 0.66 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1kkm h VAL 50 CO -0.31 0.00 0.01 0.24 0.02 0.00 0.00 177.57 177.53 1kkm h MET 51 N -0.44 0.00 0.00 1.57 2.86 -1.31 -1.97 114.93 115.63 1kkm h MET 51 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1kkm h MET 51 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1kkm h MET 51 CO -0.48 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.36 1kkm n SER 52 N -4.47 0.00 0.01 1.22 3.41 0.72 -2.25 113.62 112.25 1kkm n SER 52 Ca -0.03 0.28 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 1kkm n SER 52 Cb 0.10 -0.38 0.32 0.00 -0.26 0.00 0.00 64.21 63.99 1kkm n SER 52 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1kkm n LEU 53 N -1.38 0.42 -4.01 1.04 4.77 -0.74 -4.96 117.00 112.14 1kkm n LEU 53 Ca 0.05 0.14 -0.27 0.00 -0.03 0.00 0.00 56.01 55.89 1kkm n LEU 53 Cb 0.12 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1kkm n LEU 53 CO 0.10 0.08 -0.21 0.61 -1.33 0.00 0.00 177.39 176.63 1kkm n GLY 54 N 1.48 -0.25 3.63 -0.72 0.00 -0.96 -4.84 105.19 103.54 1kkm n GLY 54 Ca 0.06 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1kkm n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kkm s ILE 55 N -3.89 3.47 0.56 -0.61 1.01 -1.26 -4.97 121.20 115.52 1kkm s ILE 55 Ca 0.11 0.53 0.08 0.00 0.00 0.00 0.00 60.65 61.37 1kkm s ILE 55 Cb -0.06 -3.47 0.08 0.00 0.01 0.00 0.00 42.46 39.02 1kkm s ILE 55 CO 0.90 -0.19 0.78 0.00 0.00 0.00 0.00 174.94 176.43 1kkm s ALA 56 N 5.51 4.53 0.18 9.38 0.00 -1.26 -0.64 121.76 139.46 1kkm s ALA 56 Ca 0.79 -1.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.46 1kkm s ALA 56 Cb -0.30 -1.58 -0.09 0.00 0.00 0.00 0.00 23.12 21.16 1kkm s ALA 56 CO 0.32 -0.83 1.36 0.15 0.00 0.00 0.00 175.76 176.77 1kkm s LYS 57 N -4.67 4.34 0.00 0.00 -0.14 -1.26 -2.02 119.74 115.99 1kkm s LYS 57 Ca 0.61 2.11 0.00 0.00 -1.36 0.00 0.00 55.97 57.33 1kkm s LYS 57 Cb -0.07 -3.20 0.00 0.00 -1.68 0.00 0.00 37.83 32.89 1kkm s LYS 57 CO 0.39 -0.35 0.00 0.41 -0.76 0.00 0.00 175.35 175.03 1kkm n GLY 58 N 2.75 0.78 3.84 -3.33 0.00 -0.30 -5.04 105.19 103.89 1kkm n GLY 58 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1kkm n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkm s ALA 59 N -2.01 3.32 -0.30 4.61 0.00 -0.86 -4.85 121.76 121.66 1kkm s ALA 59 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 1kkm s ALA 59 Cb 0.00 -2.81 0.04 0.00 0.00 0.00 0.00 23.12 20.34 1kkm s ALA 59 CO 0.00 0.31 0.03 -2.00 0.00 0.00 0.00 175.76 174.10 1kkm s GLU 60 N -2.76 2.60 0.25 0.00 2.12 -1.26 -0.69 118.70 118.96 1kkm s GLU 60 Ca 0.52 -1.16 0.09 0.00 0.36 0.00 0.00 54.97 54.79 1kkm s GLU 60 Cb -0.12 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 1kkm s GLU 60 CO 0.18 -0.58 -0.03 0.96 -0.54 0.00 0.00 175.26 175.25 1kkm s ILE 61 N 1.33 3.37 -0.10 -3.70 -4.36 -0.86 -4.65 121.20 112.22 1kkm s ILE 61 Ca -0.03 -1.87 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 1kkm s ILE 61 Cb -0.19 -2.77 0.02 0.00 1.25 0.00 0.00 42.46 40.77 1kkm s ILE 61 CO -0.00 -0.31 -0.10 -0.89 0.24 0.00 0.00 174.94 173.87 1kkm s THR 62 N -2.19 1.14 -0.13 8.37 2.01 -0.59 -1.44 115.64 122.82 1kkm s THR 62 Ca 0.30 -0.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.85 1kkm s THR 62 Cb -0.07 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1kkm s THR 62 CO 0.19 0.38 0.05 -0.63 -0.69 0.00 0.00 174.62 173.92 1kkm s ILE 63 N 1.32 4.75 0.04 1.82 1.01 -0.98 -0.69 121.20 128.47 1kkm s ILE 63 Ca -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 1kkm s ILE 63 Cb -0.14 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 1kkm s ILE 63 CO -0.04 0.56 0.00 -0.94 0.00 0.00 0.00 174.94 174.51 1kkm s SER 64 N -0.47 0.35 0.08 3.58 1.04 -0.83 -1.86 113.70 115.59 1kkm s SER 64 Ca 0.10 -0.76 -0.12 0.00 0.48 0.00 0.00 55.95 55.65 1kkm s SER 64 Cb -0.12 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.20 1kkm s SER 64 CO 0.02 -0.50 0.28 0.00 0.98 0.00 0.00 173.24 174.02 1kkm s ALA 65 N -2.96 -0.56 -0.06 5.32 0.00 -0.64 -0.15 121.76 122.70 1kkm s ALA 65 Ca -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 1kkm s ALA 65 Cb 0.01 0.49 0.04 0.00 0.00 0.00 0.00 23.12 23.65 1kkm s ALA 65 CO -0.06 -0.51 0.07 -1.12 0.00 0.00 0.00 175.76 174.13 1kkm s SER 66 N -2.59 1.35 0.00 0.00 0.01 -0.04 -3.80 113.70 108.62 1kkm s SER 66 Ca 0.01 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1kkm s SER 66 Cb 0.02 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1kkm s SER 66 CO -0.09 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1kkm n GLY 67 N 5.30 2.21 0.41 3.44 0.00 -1.26 -0.18 105.19 115.11 1kkm n GLY 67 Ca -0.04 -1.04 0.21 0.00 0.00 0.00 0.00 46.02 45.16 1kkm n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkm h ALA 68 N 0.00 2.22 -0.33 4.61 0.00 -1.98 -0.72 119.26 123.05 1kkm h ALA 68 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1kkm h ALA 68 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1kkm h ALA 68 CO 0.00 -0.57 -0.02 -0.40 0.00 0.00 0.00 179.25 178.25 1kkm n ASP 69 N -4.58 3.01 -0.13 0.00 3.85 -1.26 -4.79 116.55 112.65 1kkm n ASP 69 Ca 0.23 -3.49 -0.04 0.00 -0.71 0.00 0.00 54.79 50.78 1kkm n ASP 69 Cb 0.81 -0.61 0.03 0.00 -1.35 0.00 0.00 41.12 40.00 1kkm n ASP 69 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1kkm h GLU 70 N 1.24 0.05 0.00 0.11 4.11 -1.45 -0.08 114.58 118.56 1kkm h GLU 70 Ca 0.15 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 1kkm h GLU 70 Cb 1.61 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1kkm h GLU 70 CO 0.35 0.03 0.00 -0.91 0.07 0.00 0.00 179.01 178.55 1kkm h ASN 71 N 0.05 0.00 0.16 3.06 2.35 -1.86 0.11 115.58 119.44 1kkm h ASN 71 Ca 0.21 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.74 1kkm h ASN 71 Cb 0.31 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.70 1kkm h ASN 71 CO -0.39 0.00 -0.96 0.44 -1.65 0.00 0.00 177.43 174.87 1kkm h ASP 72 N 0.00 0.54 -0.56 5.81 3.45 -1.59 -2.73 116.42 121.33 1kkm h ASP 72 Ca 0.00 -0.95 0.04 0.00 0.43 0.00 0.00 57.03 56.55 1kkm h ASP 72 Cb 0.39 -0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 38.94 1kkm h ASP 72 CO 0.00 1.46 0.31 0.00 -1.57 0.00 0.00 179.24 179.44 1kkm h ALA 73 N 0.09 0.73 -0.05 3.45 0.00 -0.41 -0.94 119.26 122.13 1kkm h ALA 73 Ca -0.17 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1kkm h ALA 73 Cb 1.75 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 1kkm h ALA 73 CO 0.17 -0.00 -0.21 -0.07 0.00 0.00 0.00 179.25 179.14 1kkm h LEU 74 N 0.60 -0.63 -0.19 0.00 -0.00 -0.84 -0.99 115.31 113.26 1kkm h LEU 74 Ca 0.24 0.10 0.03 0.00 -0.00 0.00 0.00 57.88 58.25 1kkm h LEU 74 Cb 0.11 0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.01 1kkm h LEU 74 CO -0.14 -0.27 0.02 0.78 -0.00 0.00 0.00 178.44 178.83 1kkm h ASN 75 N -0.31 -0.03 -1.00 -0.43 2.35 -1.07 0.15 115.58 115.25 1kkm h ASN 75 Ca 0.08 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.91 1kkm h ASN 75 Cb 0.41 0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.77 1kkm h ASN 75 CO -0.23 0.01 0.65 0.00 -1.65 0.00 0.00 177.43 176.21 1kkm h ALA 76 N 1.15 1.36 -0.25 -0.83 0.00 -0.97 0.36 119.26 120.08 1kkm h ALA 76 Ca 0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1kkm h ALA 76 Cb 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1kkm h ALA 76 CO -0.13 0.49 -0.04 -0.07 0.00 0.00 0.00 179.25 179.51 1kkm h LEU 77 N 1.22 0.46 -0.99 0.00 3.38 -0.56 -0.63 115.31 118.19 1kkm h LEU 77 Ca 0.42 -0.34 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1kkm h LEU 77 Cb 0.09 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1kkm h LEU 77 CO -0.15 0.69 0.64 -0.08 0.09 0.00 0.00 178.44 179.63 1kkm h GLU 78 N 0.21 1.15 -0.30 1.13 4.81 0.13 0.57 114.58 122.28 1kkm h GLU 78 Ca 0.07 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1kkm h GLU 78 Cb 0.48 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1kkm h GLU 78 CO 0.02 0.76 -0.27 0.93 -0.73 0.00 0.00 179.01 179.72 1kkm h GLU 79 N 1.18 0.61 -0.08 1.92 5.08 -0.01 -2.22 114.58 121.06 1kkm h GLU 79 Ca 0.42 -0.25 -0.20 0.00 -1.00 0.00 0.00 59.36 58.33 1kkm h GLU 79 Cb 0.13 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1kkm h GLU 79 CO -0.16 0.82 -0.77 1.15 -1.00 0.00 0.00 179.01 179.04 1kkm h THR 80 N 0.53 1.36 -0.48 1.13 2.02 -0.31 0.91 112.91 118.07 1kkm h THR 80 Ca 0.07 -2.16 0.01 0.00 0.77 0.00 0.00 66.41 65.10 1kkm h THR 80 Cb 0.74 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 69.26 1kkm h THR 80 CO 0.06 0.65 0.30 -0.03 0.37 0.00 0.00 175.52 176.88 1kkm h MET 81 N 0.31 0.59 0.24 6.66 -1.53 -0.74 0.66 114.93 121.13 1kkm h MET 81 Ca -0.04 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.17 1kkm h MET 81 Cb 1.37 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 32.29 1kkm h MET 81 CO 0.14 0.39 -0.12 -0.22 0.14 0.00 0.00 176.91 177.25 1kkm h LYS 82 N 0.61 -0.31 -0.70 0.39 3.64 -1.29 0.48 116.57 119.39 1kkm h LYS 82 Ca 0.18 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.72 1kkm h LYS 82 Cb -0.04 0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 31.72 1kkm h LYS 82 CO -0.06 0.01 -0.17 1.03 -2.27 0.00 0.00 179.45 177.99 1kkm h SER 83 N -0.97 -0.64 -0.19 4.20 0.87 0.10 0.19 113.55 117.12 1kkm h SER 83 Ca -0.03 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1kkm h SER 83 Cb 0.46 0.43 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1kkm h SER 83 CO 0.05 -0.23 0.00 -0.62 -0.53 0.00 0.00 176.83 175.51 1kkm n GLU 84 N -5.46 2.08 -4.29 2.24 -0.58 0.23 -4.90 120.64 109.96 1kkm n GLU 84 Ca 0.09 -0.94 -0.33 0.00 -0.42 0.00 0.00 57.16 55.56 1kkm n GLU 84 Cb 0.36 -1.64 -0.08 0.00 -0.57 0.00 0.00 31.44 29.52 1kkm n GLU 84 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1kkm n ARG 85 N 0.19 -1.49 -0.10 3.49 1.74 0.68 -4.86 116.66 116.30 1kkm n ARG 85 Ca 0.08 0.18 -0.24 0.00 -0.77 0.00 0.00 57.85 57.11 1kkm n ARG 85 Cb 0.48 -4.09 -0.12 0.00 -1.02 0.00 0.00 32.46 27.71 1kkm n ARG 85 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1kkm n LEU 86 N -4.44 2.24 0.00 0.55 4.77 0.17 -3.97 117.00 116.33 1kkm n LEU 86 Ca -0.21 0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 1kkm n LEU 86 Cb 0.63 -0.94 0.02 0.00 -2.33 0.00 0.00 43.42 40.80 1kkm n LEU 86 CO 0.86 0.60 0.71 0.61 -1.33 0.00 0.00 177.39 178.84 1kkm n GLY 87 N 1.64 0.74 0.00 -0.72 0.00 -1.14 0.12 105.19 105.82 1kkm n GLY 87 Ca -0.41 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1kkm n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50