#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n88 n LYS 2 N 0.00 0.43 0.07 3.17 0.00 -1.26 -4.17 118.16 116.40 1n88 n LYS 2 Ca 0.00 -1.05 0.00 0.00 -0.00 0.00 0.00 58.31 57.26 1n88 n LYS 2 Cb 0.00 -3.71 0.00 0.00 -0.00 0.00 0.00 35.03 31.32 1n88 n LYS 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1n88 n THR 3 N 8.82 0.43 -0.49 0.58 -2.24 -1.26 -4.35 114.28 115.77 1n88 n THR 3 Ca 0.46 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 62.38 1n88 n THR 3 Cb 0.44 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n88 n ALA 4 N -3.25 0.12 -1.00 6.98 0.00 -1.26 -3.12 120.51 118.98 1n88 n ALA 4 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1n88 n ALA 4 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1n88 n ALA 4 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1n88 n TYR 5 N -0.03 0.00 -0.16 0.00 4.11 -1.26 -2.41 117.16 117.42 1n88 n TYR 5 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.86 1n88 n TYR 5 Cb 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.43 1n88 n TYR 5 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1n88 n ASP 6 N 0.00 -0.40 0.00 9.48 9.92 -1.26 -3.62 116.55 130.67 1n88 n ASP 6 Ca 0.00 0.67 0.00 0.00 -0.53 0.00 0.00 54.79 54.93 1n88 n ASP 6 Cb 0.00 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1n88 n VAL 7 N -4.48 0.00 -2.64 2.53 0.31 -1.26 -0.68 118.33 112.11 1n88 n VAL 7 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1n88 n VAL 7 Cb 0.10 -0.30 -0.03 0.00 -0.91 0.00 0.00 33.84 32.71 1n88 n VAL 7 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1n88 s ILE 8 N 0.00 4.11 0.00 2.52 1.01 -1.24 -2.86 121.20 124.74 1n88 s ILE 8 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.44 1n88 s ILE 8 Cb 0.00 -4.68 0.00 0.00 0.01 0.00 0.00 42.46 37.79 1n88 s ILE 8 CO 0.00 -1.27 0.00 0.18 0.00 0.00 0.00 174.94 173.85 1n88 n LEU 9 N 8.19 0.00 -4.70 2.97 4.32 0.19 -4.05 117.00 123.92 1n88 n LEU 9 Ca 0.07 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.77 1n88 n LEU 9 Cb 0.49 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.21 1n88 n LEU 9 CO 0.70 0.00 -0.32 0.00 -1.22 0.00 0.00 177.39 176.55 1n88 s ALA 10 N -4.00 3.32 1.05 -1.18 0.00 -1.26 -4.81 121.76 114.88 1n88 s ALA 10 Ca 0.00 -1.17 -0.16 0.00 0.00 0.00 0.00 51.96 50.63 1n88 s ALA 10 Cb 0.00 -1.19 0.22 0.00 0.00 0.00 0.00 23.12 22.15 1n88 s ALA 10 CO 0.00 0.64 1.19 -1.25 0.00 0.00 0.00 175.76 176.34 1n88 s PRO 11 N -2.52 0.02 -0.07 0.00 0.04 -1.26 -1.27 135.00 129.93 1n88 s PRO 11 Ca 0.27 -0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.26 1n88 s PRO 11 Cb -0.11 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 1n88 s PRO 11 CO 0.19 -2.88 -0.16 0.14 0.04 0.00 0.00 177.00 174.33 1n88 s VAL 12 N -3.36 2.90 -0.42 -0.36 -7.23 -1.17 -4.80 120.40 105.96 1n88 s VAL 12 Ca 0.70 -0.76 -0.13 0.00 -1.81 0.00 0.00 61.98 59.98 1n88 s VAL 12 Cb -0.09 -2.15 0.05 0.00 0.56 0.00 0.00 36.38 34.75 1n88 s VAL 12 CO 0.54 0.57 0.29 -0.76 -0.31 0.00 0.00 175.10 175.43 1n88 s LEU 13 N -0.32 5.12 -0.28 1.32 2.01 -1.26 -4.80 118.68 120.47 1n88 s LEU 13 Ca 0.02 -1.15 -0.24 0.00 0.01 0.00 0.00 54.13 52.78 1n88 s LEU 13 Cb -0.13 -2.09 0.09 0.00 0.01 0.00 0.00 46.19 44.08 1n88 s LEU 13 CO 0.02 -0.50 0.83 -0.44 1.01 0.00 0.00 176.35 177.28 1n88 s SER 14 N 1.95 -0.66 0.24 2.29 0.01 -1.26 -5.01 113.70 111.26 1n88 s SER 14 Ca 0.03 1.23 -0.13 0.00 1.31 0.00 0.00 55.95 58.40 1n88 s SER 14 Cb -0.21 1.25 0.31 0.00 0.21 0.00 0.00 66.02 67.58 1n88 s SER 14 CO 0.07 -0.21 1.58 -0.33 0.41 0.00 0.00 173.24 174.76 1n88 h GLU 15 N 4.98 -0.02 0.00 12.44 5.08 -1.97 2.14 114.58 137.23 1n88 h GLU 15 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1n88 h GLU 15 Cb 1.17 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1n88 h GLU 15 CO 0.09 -0.02 0.24 0.87 -1.00 0.00 0.00 179.01 179.19 1n88 h LYS 16 N -0.02 0.00 0.00 2.33 1.79 -1.99 0.38 116.57 119.05 1n88 h LYS 16 Ca 0.37 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.50 1n88 h LYS 16 Cb 0.60 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.19 1n88 h LYS 16 CO -0.85 0.00 -2.22 0.00 -1.08 0.00 0.00 179.45 175.30 1n88 n ALA 17 N -1.83 1.55 -0.29 3.86 0.00 0.68 -4.31 120.51 120.17 1n88 n ALA 17 Ca -0.02 -0.90 -0.05 0.00 0.00 0.00 0.00 53.44 52.48 1n88 n ALA 17 Cb 0.28 0.08 0.09 0.00 0.00 0.00 0.00 19.45 19.90 1n88 n ALA 17 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1n88 h TYR 18 N -0.28 1.18 0.00 0.00 0.05 0.52 1.79 116.97 120.23 1n88 h TYR 18 Ca -0.50 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.21 1n88 h TYR 18 Cb 1.65 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1n88 h TYR 18 CO -0.01 0.87 0.00 0.00 -1.05 0.00 0.00 178.16 177.97 1n88 n ALA 19 N -2.43 1.27 -0.10 3.88 0.00 0.07 -0.81 120.51 122.38 1n88 n ALA 19 Ca 0.08 0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.43 1n88 n ALA 19 Cb 0.16 -1.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.26 1n88 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n88 n GLY 20 N -0.85 -0.31 0.39 0.00 0.00 0.04 -4.27 105.19 100.19 1n88 n GLY 20 Ca 0.00 -0.11 0.19 0.00 0.00 0.00 0.00 46.02 46.11 1n88 n GLY 20 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1n88 h PHE 21 N -0.56 0.00 -0.32 1.61 3.04 0.29 0.33 116.94 121.33 1n88 h PHE 21 Ca -0.49 0.00 0.09 0.00 3.98 0.00 0.00 57.97 61.55 1n88 h PHE 21 Cb 1.50 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.99 1n88 h PHE 21 CO -0.05 0.00 0.23 0.00 -2.02 0.00 0.00 178.31 176.48 1n88 h ALA 22 N 1.29 2.30 -0.28 2.41 0.00 -1.16 0.11 119.26 123.94 1n88 h ALA 22 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1n88 h ALA 22 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1n88 h ALA 22 CO -0.00 -0.40 0.00 -1.91 0.00 0.00 0.00 179.25 176.94 1n88 n GLU 23 N -4.43 2.36 -0.63 0.00 2.13 0.12 -4.82 120.64 115.37 1n88 n GLU 23 Ca 0.05 -1.31 0.00 0.00 0.66 0.00 0.00 57.16 56.56 1n88 n GLU 23 Cb 0.41 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.50 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n88 n GLY 24 N 0.55 0.66 3.81 8.31 0.00 0.38 -4.83 105.19 114.07 1n88 n GLY 24 Ca 0.12 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1n88 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 s LYS 25 N -0.66 4.34 -0.35 1.61 1.02 -1.17 -2.56 119.74 121.96 1n88 s LYS 25 Ca 0.00 1.06 0.01 0.00 0.02 0.00 0.00 55.97 57.07 1n88 s LYS 25 Cb 0.00 -2.65 0.11 0.00 -0.52 0.00 0.00 37.83 34.77 1n88 s LYS 25 CO 0.00 0.23 0.11 0.71 -0.92 0.00 0.00 175.35 175.48 1n88 s TYR 26 N -1.75 2.52 -0.07 3.18 1.51 0.26 -4.20 117.35 118.79 1n88 s TYR 26 Ca 0.51 -2.32 -0.30 0.00 -1.01 0.00 0.00 57.07 53.95 1n88 s TYR 26 Cb -0.15 -2.21 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 1n88 s TYR 26 CO 0.20 -0.88 1.04 0.99 -1.11 0.00 0.00 175.55 175.78 1n88 s THR 27 N 1.13 4.70 0.27 -0.71 2.01 -1.17 -0.29 115.64 121.57 1n88 s THR 27 Ca 0.11 1.96 0.06 0.00 0.31 0.00 0.00 61.69 64.14 1n88 s THR 27 Cb -0.19 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 68.00 1n88 s THR 27 CO -0.15 0.04 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.41 1n88 s PHE 28 N 1.82 1.89 -0.24 4.92 0.08 0.62 -3.04 117.98 124.02 1n88 s PHE 28 Ca 0.50 -0.74 -0.08 0.00 0.12 0.00 0.00 56.93 56.74 1n88 s PHE 28 Cb -0.20 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.13 1n88 s PHE 28 CO 0.21 0.23 0.09 -1.58 -0.10 0.00 0.00 175.22 174.07 1n88 s TRP 29 N -3.08 3.15 0.06 0.36 0.52 -0.40 -0.07 118.94 119.48 1n88 s TRP 29 Ca 0.29 -0.19 -0.06 0.00 0.02 0.00 0.00 56.10 56.17 1n88 s TRP 29 Cb 0.04 -2.23 -0.01 0.00 -1.15 0.00 0.00 33.47 30.12 1n88 s TRP 29 CO 0.11 -0.19 0.11 0.54 0.02 0.00 0.00 176.95 177.54 1n88 s VAL 30 N 1.35 0.15 0.67 4.03 0.11 0.25 0.52 120.40 127.49 1n88 s VAL 30 Ca 0.06 -1.25 -0.17 0.00 -2.93 0.00 0.00 61.98 57.68 1n88 s VAL 30 Cb -0.15 -1.17 0.01 0.00 -1.53 0.00 0.00 36.38 33.54 1n88 s VAL 30 CO 0.05 -0.69 1.24 -2.28 -3.33 0.00 0.00 175.10 170.08 1n88 s HIS 31 N -3.29 2.12 -1.00 1.54 2.46 0.14 -3.17 115.29 114.10 1n88 s HIS 31 Ca 0.01 1.54 -0.19 0.00 0.47 0.00 0.00 55.06 56.88 1n88 s HIS 31 Cb 0.03 -3.56 -0.09 0.00 -0.13 0.00 0.00 32.58 28.82 1n88 s HIS 31 CO -0.08 -2.66 2.03 -0.35 -2.47 0.00 0.00 174.74 171.21 1n88 n PRO 32 N -2.19 1.95 0.00 2.88 -0.04 -1.26 -2.86 135.00 133.47 1n88 n PRO 32 Ca 0.14 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 1n88 n PRO 32 Cb 0.49 -3.04 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 1n88 n PRO 32 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1n88 n LYS 33 N 6.71 0.00 -1.51 0.54 -0.00 -1.26 -5.07 118.16 117.57 1n88 n LYS 33 Ca 0.50 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.56 1n88 n LYS 33 Cb 0.40 0.00 -0.17 0.00 -0.00 0.00 0.00 35.03 35.26 1n88 n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n88 n ALA 34 N 0.00 0.81 -1.47 0.58 0.00 -1.14 -4.76 120.51 114.53 1n88 n ALA 34 Ca 0.00 -0.82 -0.48 0.00 0.00 0.00 0.00 53.44 52.14 1n88 n ALA 34 Cb 0.00 -2.58 -0.03 0.00 0.00 0.00 0.00 19.45 16.84 1n88 n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n88 n THR 35 N 6.63 1.79 -0.37 0.00 -2.24 -1.26 -4.44 114.28 114.39 1n88 n THR 35 Ca 0.62 -0.45 0.30 0.00 -2.27 0.00 0.00 64.05 62.25 1n88 n THR 35 Cb 0.19 -0.32 0.56 0.00 -2.10 0.00 0.00 70.33 68.66 1n88 n THR 35 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1n88 h LYS 36 N 1.56 0.19 -0.19 -0.78 3.64 -1.96 0.78 116.57 119.81 1n88 h LYS 36 Ca -0.34 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 58.94 1n88 h LYS 36 Cb 1.41 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1n88 h LYS 36 CO 0.59 0.13 -0.26 1.15 -2.27 0.00 0.00 179.45 178.79 1n88 h THR 37 N 0.20 1.34 -0.92 1.00 2.02 -1.96 -3.08 112.91 111.51 1n88 h THR 37 Ca 0.77 -1.47 0.09 0.00 0.77 0.00 0.00 66.41 66.57 1n88 h THR 37 Cb 2.08 1.85 -0.07 0.00 -1.74 0.00 0.00 68.15 70.26 1n88 h THR 37 CO -0.52 0.45 0.56 -0.33 0.37 0.00 0.00 175.52 176.04 1n88 h GLU 38 N 0.17 0.92 -0.31 6.66 4.39 0.22 0.31 114.58 126.93 1n88 h GLU 38 Ca 0.02 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.74 1n88 h GLU 38 Cb 0.83 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1n88 h GLU 38 CO 0.06 0.61 0.22 0.82 -1.16 0.00 0.00 179.01 179.56 1n88 h ILE 39 N 0.95 0.88 -0.39 3.13 2.04 -1.06 0.86 117.51 123.92 1n88 h ILE 39 Ca 0.43 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 66.22 1n88 h ILE 39 Cb 0.35 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1n88 h ILE 39 CO -0.23 0.01 0.07 0.50 0.00 0.00 0.00 178.15 178.51 1n88 h LYS 40 N 0.08 0.63 -0.12 2.37 3.64 -0.33 -2.45 116.57 120.39 1n88 h LYS 40 Ca 0.14 -0.16 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 1n88 h LYS 40 Cb 0.48 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1n88 h LYS 40 CO -0.01 0.68 -0.50 -0.91 -2.27 0.00 0.00 179.45 176.44 1n88 h ASN 41 N 0.48 0.64 0.03 4.20 2.35 -0.79 -2.14 115.58 120.35 1n88 h ASN 41 Ca 0.12 -0.63 0.01 0.00 -0.55 0.00 0.00 56.30 55.25 1n88 h ASN 41 Cb 0.34 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1n88 h ASN 41 CO 0.01 1.16 -0.08 0.00 -1.65 0.00 0.00 177.43 176.86 1n88 h ALA 42 N 0.49 -0.12 -0.21 -0.83 0.00 -0.90 0.25 119.26 117.94 1n88 h ALA 42 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1n88 h ALA 42 Cb 1.14 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1n88 h ALA 42 CO 0.10 -0.59 0.07 0.28 0.00 0.00 0.00 179.25 179.11 1n88 h VAL 43 N -0.16 1.19 -0.59 0.00 2.07 -1.38 0.70 116.25 118.08 1n88 h VAL 43 Ca 0.02 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.00 1n88 h VAL 43 Cb 0.19 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1n88 h VAL 43 CO -0.06 0.19 0.31 -0.33 0.02 0.00 0.00 177.57 177.70 1n88 h GLU 44 N 0.17 0.58 0.00 1.57 4.39 -1.16 0.85 114.58 120.98 1n88 h GLU 44 Ca 0.07 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1n88 h GLU 44 Cb 0.23 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1n88 h GLU 44 CO -0.00 0.38 0.00 2.41 -1.16 0.00 0.00 179.01 180.64 1n88 n THR 45 N -4.83 0.41 0.00 1.13 -1.04 0.88 -1.44 114.28 109.38 1n88 n THR 45 Ca 0.06 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1n88 n THR 45 Cb 0.15 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 1n88 n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n88 n ALA 46 N -1.65 0.00 0.24 2.41 0.00 0.24 -4.59 120.51 117.16 1n88 n ALA 46 Ca 0.06 -0.18 0.13 0.00 0.00 0.00 0.00 53.44 53.44 1n88 n ALA 46 Cb 0.36 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.31 1n88 n ALA 46 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1n88 h PHE 47 N 0.00 0.00 -3.86 0.00 0.04 0.40 -3.47 116.94 110.05 1n88 h PHE 47 Ca 0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 1n88 h PHE 47 Cb 0.00 0.00 0.09 0.00 2.20 0.00 0.00 35.95 38.24 1n88 h PHE 47 CO 0.00 0.13 -0.40 1.63 -0.60 0.00 0.00 178.31 179.07 1n88 n LYS 48 N -3.25 -4.17 -0.07 1.51 5.02 -0.52 -4.87 118.16 111.82 1n88 n LYS 48 Ca 0.01 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1n88 n LYS 48 Cb 0.40 -4.40 0.00 0.00 -0.02 0.00 0.00 35.03 31.02 1n88 n LYS 48 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1n88 n VAL 49 N -3.43 0.00 -3.98 -0.18 3.14 -1.25 -5.03 118.33 107.60 1n88 n VAL 49 Ca -0.07 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.99 1n88 n VAL 49 Cb 0.56 -0.07 -0.14 0.00 -1.06 0.00 0.00 33.84 33.13 1n88 n VAL 49 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1n88 s LYS 50 N 1.02 1.96 -0.21 1.45 2.36 -1.26 -4.74 119.74 120.32 1n88 s LYS 50 Ca 0.00 -1.59 -0.29 0.00 -2.55 0.00 0.00 55.97 51.54 1n88 s LYS 50 Cb 0.00 -3.15 0.00 0.00 -1.05 0.00 0.00 37.83 33.63 1n88 s LYS 50 CO 0.00 -0.78 1.13 0.08 1.55 0.00 0.00 175.35 177.32 1n88 s VAL 51 N 1.06 4.52 -1.03 4.02 1.01 -1.26 -2.81 120.40 125.91 1n88 s VAL 51 Ca 0.01 1.83 0.18 0.00 0.00 0.00 0.00 61.98 64.00 1n88 s VAL 51 Cb -0.20 -4.20 -0.16 0.00 0.00 0.00 0.00 36.38 31.82 1n88 s VAL 51 CO -0.05 -0.19 0.81 0.55 0.00 0.00 0.00 175.10 176.22 1n88 n VAL 52 N 5.39 0.00 -3.65 2.92 3.14 0.58 -4.85 118.33 121.86 1n88 n VAL 52 Ca 0.13 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1n88 n VAL 52 Cb 0.46 1.04 -0.06 0.00 -1.06 0.00 0.00 33.84 34.22 1n88 n VAL 52 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1n88 s LYS 53 N -2.60 0.17 -0.10 1.45 -2.85 -1.10 -4.91 119.74 109.79 1n88 s LYS 53 Ca 0.09 0.28 0.03 0.00 -1.00 0.00 0.00 55.97 55.36 1n88 s LYS 53 Cb 0.14 0.04 0.01 0.00 -2.06 0.00 0.00 37.83 35.96 1n88 s LYS 53 CO 0.69 -0.03 -0.18 0.08 0.10 0.00 0.00 175.35 176.00 1n88 s VAL 54 N 1.02 1.67 -0.15 1.79 1.01 -1.25 0.16 120.40 124.65 1n88 s VAL 54 Ca -0.07 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1n88 s VAL 54 Cb -0.03 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.90 1n88 s VAL 54 CO -0.12 0.47 -0.03 0.21 0.00 0.00 0.00 175.10 175.64 1n88 s ASN 55 N 0.71 2.58 0.23 3.32 2.47 0.69 -4.88 114.94 120.06 1n88 s ASN 55 Ca -0.12 -0.56 0.10 0.00 0.42 0.00 0.00 52.86 52.70 1n88 s ASN 55 Cb -0.16 -0.78 -0.04 0.00 -1.45 0.00 0.00 41.25 38.82 1n88 s ASN 55 CO 0.03 -0.20 -0.08 0.28 -3.72 0.00 0.00 177.10 173.41 1n88 s THR 56 N 1.73 3.16 0.24 -5.21 -1.32 -1.25 0.27 115.64 113.26 1n88 s THR 56 Ca 0.02 -1.91 -0.06 0.00 -1.21 0.00 0.00 61.69 58.53 1n88 s THR 56 Cb -0.15 -2.63 -0.02 0.00 -1.51 0.00 0.00 72.50 68.19 1n88 s THR 56 CO -0.07 -0.27 0.32 -1.48 -2.21 0.00 0.00 174.62 170.91 1n88 s LEU 57 N -3.31 0.81 -0.08 9.08 2.34 0.23 -4.90 118.68 122.86 1n88 s LEU 57 Ca 0.28 -1.22 -0.25 0.00 0.06 0.00 0.00 54.13 53.01 1n88 s LEU 57 Cb -0.07 1.10 -0.03 0.00 -0.56 0.00 0.00 46.19 46.63 1n88 s LEU 57 CO 0.17 -1.03 0.77 -1.00 -1.06 0.00 0.00 176.35 174.20 1n88 s HIS 58 N -3.94 3.55 -0.10 3.48 3.76 -1.26 0.17 115.29 120.95 1n88 s HIS 58 Ca 0.31 1.31 0.03 0.00 -0.15 0.00 0.00 55.06 56.56 1n88 s HIS 58 Cb 0.03 -2.89 -0.00 0.00 1.11 0.00 0.00 32.58 30.82 1n88 s HIS 58 CO 0.12 -0.00 -0.21 0.14 -0.85 0.00 0.00 174.74 173.94 1n88 s VAL 59 N 1.14 2.31 -0.13 -0.90 -7.23 0.70 -4.84 120.40 111.44 1n88 s VAL 59 Ca 0.39 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1n88 s VAL 59 Cb -0.18 -1.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 1n88 s VAL 59 CO 0.18 0.55 -0.15 -0.13 -0.31 0.00 0.00 175.10 175.24 1n88 s ARG 60 N 0.30 3.30 0.73 4.82 1.81 -1.26 -2.44 118.95 126.21 1n88 s ARG 60 Ca -0.16 -0.73 -0.17 0.00 -1.72 0.00 0.00 55.73 52.96 1n88 s ARG 60 Cb -0.17 -2.59 -0.08 0.00 -0.45 0.00 0.00 34.95 31.66 1n88 s ARG 60 CO 0.08 0.16 0.14 0.41 -0.68 0.00 0.00 175.30 175.41 1n88 n GLY 61 N 3.67 -2.49 0.17 -3.53 0.00 -1.26 -4.86 105.19 96.88 1n88 n GLY 61 Ca -0.18 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.49 1n88 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n88 h LYS 62 N -0.46 0.00 -3.75 1.61 1.79 -2.00 -3.38 116.57 110.38 1n88 h LYS 62 Ca -0.44 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 57.63 1n88 h LYS 62 Cb 1.36 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 32.03 1n88 h LYS 62 CO 0.39 0.18 2.35 1.63 -1.08 0.00 0.00 179.45 182.92 1n88 n LYS 63 N -3.05 1.70 -0.88 3.15 5.02 -1.26 -4.92 118.16 117.92 1n88 n LYS 63 Ca 0.01 -1.43 -0.37 0.00 -2.02 0.00 0.00 58.31 54.51 1n88 n LYS 63 Cb 0.62 -2.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.21 1n88 n LYS 63 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1n88 n LYS 64 N 4.96 -0.57 0.22 1.97 2.85 -1.26 -4.65 118.16 121.66 1n88 n LYS 64 Ca 0.41 -0.16 0.12 0.00 -1.05 0.00 0.00 58.31 57.63 1n88 n LYS 64 Cb 0.18 -1.24 0.64 0.00 -0.65 0.00 0.00 35.03 33.96 1n88 n LYS 64 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 177.40 177.42 1n88 h ARG 65 N -1.38 0.00 -4.68 -1.58 -0.00 -1.83 -3.46 114.38 101.45 1n88 h ARG 65 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.54 1n88 h ARG 65 Cb 1.39 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.34 1n88 h ARG 65 CO 0.27 0.00 -0.85 -0.11 -0.00 0.00 0.00 179.97 179.28 1n88 n LEU 66 N -2.41 -5.31 0.00 0.08 7.94 -1.26 -4.52 117.00 111.52 1n88 n LEU 66 Ca -0.02 2.41 0.00 0.00 -1.11 0.00 0.00 56.01 57.29 1n88 n LEU 66 Cb 0.19 -2.89 0.00 0.00 0.53 0.00 0.00 43.42 41.24 1n88 n LEU 66 CO 0.10 -2.82 0.00 0.61 -1.11 0.00 0.00 177.39 174.17 1n88 n GLY 67 N 1.89 -0.24 3.70 -3.96 0.00 -1.26 -4.32 105.19 101.00 1n88 n GLY 67 Ca -0.05 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1n88 n GLY 67 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n88 s ARG 68 N 0.00 4.39 0.17 1.61 3.52 -1.26 -4.98 118.95 122.40 1n88 s ARG 68 Ca 0.00 1.73 -0.24 0.00 -0.13 0.00 0.00 55.73 57.09 1n88 s ARG 68 Cb 0.00 -3.47 0.07 0.00 -1.56 0.00 0.00 34.95 29.99 1n88 s ARG 68 CO 0.00 -0.37 1.00 -0.47 -0.81 0.00 0.00 175.30 174.65 1n88 s TYR 69 N 1.73 -0.03 -1.26 5.12 5.04 -1.26 -5.05 117.35 121.63 1n88 s TYR 69 Ca 0.57 -0.32 -0.09 0.00 -2.44 0.00 0.00 57.07 54.79 1n88 s TYR 69 Cb -0.27 0.67 0.18 0.00 0.35 0.00 0.00 41.96 42.89 1n88 s TYR 69 CO 0.25 -0.88 1.82 1.47 -1.34 0.00 0.00 175.55 176.87 1n88 n LEU 70 N -0.57 6.53 0.00 6.97 -0.00 -1.26 -4.87 117.00 123.81 1n88 n LEU 70 Ca -0.05 -4.67 -0.03 0.00 -0.00 0.00 0.00 56.01 51.26 1n88 n LEU 70 Cb 0.60 -1.48 0.01 0.00 -0.00 0.00 0.00 43.42 42.56 1n88 n LEU 70 CO 0.17 1.35 0.32 0.61 -0.00 0.00 0.00 177.39 179.85 1n88 n GLY 71 N 2.80 1.26 0.00 1.47 0.00 -1.26 -5.15 105.19 104.31 1n88 n GLY 71 Ca 0.39 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1n88 n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1n88 n LYS 72 N -0.30 -2.13 -3.63 1.61 2.85 -1.26 -4.69 118.16 110.61 1n88 n LYS 72 Ca -0.03 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.85 1n88 n LYS 72 Cb 0.29 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.56 1n88 n LYS 72 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1n88 s ARG 73 N -1.31 3.91 0.00 -1.58 0.52 -1.26 -4.62 118.95 114.61 1n88 s ARG 73 Ca 0.00 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 1n88 s ARG 73 Cb 0.00 -3.59 0.00 0.00 0.52 0.00 0.00 34.95 31.88 1n88 s ARG 73 CO 0.00 -0.16 0.00 -0.35 0.02 0.00 0.00 175.30 174.81 1n88 n PRO 74 N 4.97 -0.05 -3.79 3.54 -0.04 -1.26 -5.00 135.00 133.37 1n88 n PRO 74 Ca -0.14 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.97 1n88 n PRO 74 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 1n88 n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n88 s ASP 75 N -1.38 4.98 0.10 3.54 1.01 -1.26 -4.78 116.67 118.88 1n88 s ASP 75 Ca 0.00 -3.00 -0.07 0.00 0.71 0.00 0.00 52.55 50.19 1n88 s ASP 75 Cb 0.00 -1.79 -0.06 0.00 1.01 0.00 0.00 42.92 42.09 1n88 s ASP 75 CO 0.00 -0.30 0.38 -0.60 0.21 0.00 0.00 175.17 174.85 1n88 s ARG 76 N -0.28 3.68 -0.11 8.23 3.00 -1.02 -4.60 118.95 127.85 1n88 s ARG 76 Ca 0.18 0.03 0.03 0.00 -1.00 0.00 0.00 55.73 54.97 1n88 s ARG 76 Cb -0.21 -2.93 0.01 0.00 0.00 0.00 0.00 34.95 31.82 1n88 s ARG 76 CO -0.03 0.52 -0.19 0.21 0.00 0.00 0.00 175.30 175.81 1n88 s LYS 77 N -2.24 2.56 0.08 5.12 2.20 -1.19 0.25 119.74 126.53 1n88 s LYS 77 Ca 0.36 -0.70 0.01 0.00 -0.36 0.00 0.00 55.97 55.29 1n88 s LYS 77 Cb -0.13 -2.05 -0.04 0.00 -1.51 0.00 0.00 37.83 34.10 1n88 s LYS 77 CO 0.21 0.04 0.18 0.15 -0.36 0.00 0.00 175.35 175.56 1n88 s LYS 78 N 0.70 3.26 -0.08 4.03 1.02 0.45 -0.58 119.74 128.54 1n88 s LYS 78 Ca -0.12 -0.56 0.02 0.00 0.02 0.00 0.00 55.97 55.34 1n88 s LYS 78 Cb -0.16 -2.92 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1n88 s LYS 78 CO 0.02 0.58 -0.14 0.00 -0.92 0.00 0.00 175.35 174.89 1n88 s ALA 79 N -1.53 1.43 -0.32 5.17 0.00 0.90 0.78 121.76 128.20 1n88 s ALA 79 Ca 0.33 -0.53 -0.06 0.00 0.00 0.00 0.00 51.96 51.71 1n88 s ALA 79 Cb -0.12 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.39 1n88 s ALA 79 CO 0.26 0.11 0.09 0.42 0.00 0.00 0.00 175.76 176.64 1n88 s ILE 80 N 0.67 3.75 -0.15 0.00 1.09 0.76 0.23 121.20 127.55 1n88 s ILE 80 Ca -0.14 -1.03 -0.02 0.00 -1.10 0.00 0.00 60.65 58.36 1n88 s ILE 80 Cb -0.16 -3.07 -0.02 0.00 -1.06 0.00 0.00 42.46 38.15 1n88 s ILE 80 CO 0.04 -0.09 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.01 1n88 s VAL 81 N 1.42 3.34 0.09 2.92 1.01 0.60 0.25 120.40 130.03 1n88 s VAL 81 Ca -0.01 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1n88 s VAL 81 Cb -0.19 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1n88 s VAL 81 CO 0.02 0.50 0.19 -1.58 0.00 0.00 0.00 175.10 174.23 1n88 s GLN 82 N 0.54 3.28 0.20 2.72 2.00 0.42 0.89 119.66 129.71 1n88 s GLN 82 Ca -0.06 -0.55 0.08 0.00 -2.00 0.00 0.00 55.36 52.83 1n88 s GLN 82 Cb -0.15 -2.93 -0.04 0.00 0.80 0.00 0.00 33.01 30.68 1n88 s GLN 82 CO 0.03 0.58 -0.03 0.14 -0.50 0.00 0.00 175.29 175.50 1n88 s VAL 83 N -1.54 3.48 1.19 1.34 -7.23 -1.06 0.21 120.40 116.78 1n88 s VAL 83 Ca 0.33 -1.62 -0.14 0.00 -1.81 0.00 0.00 61.98 58.74 1n88 s VAL 83 Cb -0.12 -2.77 0.26 0.00 0.56 0.00 0.00 36.38 34.31 1n88 s VAL 83 CO 0.26 -0.17 0.75 0.00 -0.31 0.00 0.00 175.10 175.63 1n88 n ALA 84 N -0.25 -3.41 -1.09 1.32 0.00 -1.12 -4.71 120.51 111.25 1n88 n ALA 84 Ca -0.09 -1.27 -0.21 0.00 0.00 0.00 0.00 53.44 51.86 1n88 n ALA 84 Cb 0.56 -1.86 -0.12 0.00 0.00 0.00 0.00 19.45 18.03 1n88 n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1n88 n PRO 85 N -4.33 2.55 -0.46 0.00 -0.04 -1.26 -3.48 135.00 127.98 1n88 n PRO 85 Ca 0.02 -1.40 -0.01 0.00 -0.04 0.00 0.00 63.50 62.07 1n88 n PRO 85 Cb 0.56 -2.27 -0.01 0.00 -0.04 0.00 0.00 33.50 31.74 1n88 n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n88 n GLY 86 N 2.88 0.39 1.97 0.55 0.00 -1.26 -5.15 105.19 104.57 1n88 n GLY 86 Ca 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.49 1n88 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n88 n GLN 87 N 0.00 0.44 0.00 1.61 0.00 -1.23 -5.09 117.38 113.11 1n88 n GLN 87 Ca -0.05 -1.56 0.00 0.00 0.00 0.00 0.00 57.00 55.39 1n88 n GLN 87 Cb 0.36 1.55 0.00 0.00 0.00 0.00 0.00 30.24 32.15 1n88 n GLN 87 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1n88 n LYS 88 N -0.33 0.00 -1.55 2.61 2.85 -1.26 -4.96 118.16 115.52 1n88 n LYS 88 Ca -0.00 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.89 1n88 n LYS 88 Cb 0.34 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.69 1n88 n LYS 88 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1n88 n ILE 89 N 0.00 -0.05 0.04 0.58 5.41 -1.26 -4.76 119.36 119.32 1n88 n ILE 89 Ca 0.00 -0.77 0.21 0.00 1.00 0.00 0.00 62.75 63.18 1n88 n ILE 89 Cb 0.00 -2.79 0.73 0.00 -0.71 0.00 0.00 39.64 36.87 1n88 n ILE 89 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1n88 h GLU 90 N 19.23 0.00 -0.19 0.38 4.39 -1.97 0.23 114.58 136.65 1n88 h GLU 90 Ca -0.26 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.42 1n88 h GLU 90 Cb 1.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1n88 h GLU 90 CO 1.14 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 178.98 1n88 h ALA 91 N 1.64 1.64 -0.07 3.43 0.00 -1.91 -2.74 119.26 121.24 1n88 h ALA 91 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1n88 h ALA 91 Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1n88 h ALA 91 CO -0.00 0.27 0.00 -0.11 0.00 0.00 0.00 179.25 179.41 1n88 n LEU 92 N -4.37 2.36 -0.83 0.00 0.00 0.68 -4.29 117.00 110.54 1n88 n LEU 92 Ca -0.00 -1.12 0.12 0.00 0.00 0.00 0.00 56.01 55.00 1n88 n LEU 92 Cb 0.19 -0.04 0.29 0.00 0.00 0.00 0.00 43.42 43.86 1n88 n LEU 92 CO 0.37 0.45 0.74 -0.62 0.00 0.00 0.00 177.39 178.33 1n88 n GLU 93 N 0.83 2.10 -0.00 1.96 -0.58 -0.47 -4.02 120.64 120.46 1n88 n GLU 93 Ca 0.09 -1.65 0.01 0.00 -0.42 0.00 0.00 57.16 55.19 1n88 n GLU 93 Cb 0.38 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.78 1n88 n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n88 n GLY 94 N 1.31 0.13 0.35 0.62 0.00 -1.23 -4.63 105.19 101.75 1n88 n GLY 94 Ca 0.17 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1n88 n GLY 94 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n88 h LEU 95 N 0.00 0.38 0.00 0.99 4.07 -1.75 -3.53 115.31 115.47 1n88 h LEU 95 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1n88 h LEU 95 Cb 0.07 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1n88 h LEU 95 CO 0.00 0.23 0.00 -0.38 -1.08 0.00 0.00 178.44 177.21