#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tto h ASP 3 N 5.80 0.68 -3.70 0.00 3.32 -1.37 -3.43 116.42 117.72 1tto h ASP 3 Ca -0.31 -0.42 -0.39 0.00 0.02 0.00 0.00 57.03 55.92 1tto h ASP 3 Cb 1.18 -0.20 -0.31 0.00 0.22 0.00 0.00 39.33 40.22 1tto h ASP 3 CO 0.49 1.18 -0.77 -0.31 -1.72 0.00 0.00 179.24 178.10 1tto s TYR 4 N -3.77 0.75 -0.20 4.55 2.02 -0.00 -4.94 117.35 115.76 1tto s TYR 4 Ca -0.08 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 1tto s TYR 4 Cb 0.10 -0.58 0.03 0.00 -0.40 0.00 0.00 41.96 41.11 1tto s TYR 4 CO 0.86 -0.11 -0.17 0.99 -1.57 0.00 0.00 175.55 175.55 1tto s THR 5 N 0.40 2.06 -0.37 -0.71 2.01 0.21 -0.83 115.64 118.42 1tto s THR 5 Ca -0.05 -1.10 0.03 0.00 0.31 0.00 0.00 61.69 60.88 1tto s THR 5 Cb -0.09 -1.95 0.10 0.00 0.01 0.00 0.00 72.50 70.57 1tto s THR 5 CO 0.00 0.39 0.09 0.00 -0.69 0.00 0.00 174.62 174.42 1tto n GLY 7 N 4.19 3.89 1.45 0.00 0.00 -1.26 -0.39 105.19 113.07 1tto n GLY 7 Ca 0.03 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.21 1tto n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tto n SER 8 N 9.16 4.72 -4.75 1.61 3.41 -1.26 -4.95 113.62 121.56 1tto n SER 8 Ca 0.00 -2.67 -0.36 0.00 -0.26 0.00 0.00 58.87 55.58 1tto n SER 8 Cb 0.00 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.29 1tto n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1tto s ASN 9 N -1.10 5.72 -0.27 4.04 0.01 0.48 -5.09 114.94 118.73 1tto s ASN 9 Ca 0.48 0.26 -0.03 0.00 -0.71 0.00 0.00 52.86 52.86 1tto s ASN 9 Cb 0.34 -1.76 0.03 0.00 0.41 0.00 0.00 41.25 40.27 1tto s ASN 9 CO 0.18 0.36 -0.02 0.00 -1.51 0.00 0.00 177.10 176.11 1tto s TYR 11 N 1.35 2.54 0.43 0.00 2.02 -0.01 -4.99 117.35 118.68 1tto s TYR 11 Ca -0.00 -0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.47 1tto s TYR 11 Cb -0.17 -1.44 0.01 0.00 -0.40 0.00 0.00 41.96 39.95 1tto s TYR 11 CO -0.03 0.26 0.60 -1.54 -1.57 0.00 0.00 175.55 173.28 1tto s SER 12 N -1.51 5.72 0.39 2.29 1.04 -1.26 -0.82 113.70 119.55 1tto s SER 12 Ca 0.15 -0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.54 1tto s SER 12 Cb -0.10 -1.08 0.79 0.00 0.10 0.00 0.00 66.02 65.72 1tto s SER 12 CO 0.06 -0.72 2.02 0.28 0.98 0.00 0.00 173.24 175.85 1tto h SER 13 N 0.55 0.49 -0.34 7.02 0.02 -1.99 -1.94 113.55 117.37 1tto h SER 13 Ca -0.44 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.36 1tto h SER 13 Cb 1.27 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1tto h SER 13 CO 0.52 0.40 -0.25 -1.28 -1.14 0.00 0.00 176.83 175.08 1tto h SER 14 N 0.56 0.86 -0.91 3.07 0.87 -1.99 -0.80 113.55 115.22 1tto h SER 14 Ca 0.15 -0.33 0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1tto h SER 14 Cb 0.02 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.70 1tto h SER 14 CO -0.02 1.07 0.59 0.44 -0.53 0.00 0.00 176.83 178.38 1tto h ASP 15 N 0.72 1.05 -0.19 6.23 3.32 -1.75 -0.66 116.42 125.15 1tto h ASP 15 Ca 0.09 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1tto h ASP 15 Cb 0.79 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 1tto h ASP 15 CO 0.07 0.77 -0.09 0.58 -1.72 0.00 0.00 179.24 178.84 1tto h VAL 16 N 1.23 1.31 -0.58 -1.35 2.07 -1.09 -2.41 116.25 115.43 1tto h VAL 16 Ca 0.33 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1tto h VAL 16 Cb -0.13 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1tto h VAL 16 CO -0.07 0.34 0.26 0.77 0.02 0.00 0.00 177.57 178.90 1tto h SER 17 N 0.08 0.74 -0.27 0.57 4.64 -0.89 0.35 113.55 118.77 1tto h SER 17 Ca 0.04 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 1tto h SER 17 Cb 0.57 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1tto h SER 17 CO 0.03 0.65 0.03 0.74 -0.87 0.00 0.00 176.83 177.40 1tto h THR 18 N 0.82 1.24 -0.43 2.95 2.02 -1.06 0.67 112.91 119.13 1tto h THR 18 Ca 0.20 -0.84 -0.10 0.00 0.77 0.00 0.00 66.41 66.44 1tto h THR 18 Cb 0.11 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1tto h THR 18 CO -0.02 0.27 -0.15 0.00 0.37 0.00 0.00 175.52 175.98 1tto h ALA 19 N 0.85 0.92 -0.29 6.16 0.00 -0.88 -2.70 119.26 123.31 1tto h ALA 19 Ca 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1tto h ALA 19 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1tto h ALA 19 CO 0.01 0.62 0.05 0.37 0.00 0.00 0.00 179.25 180.30 1tto h GLN 20 N 0.72 0.48 -0.31 0.00 4.15 -0.10 -1.33 115.11 118.72 1tto h GLN 20 Ca 0.11 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.41 1tto h GLN 20 Cb 0.66 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 1tto h GLN 20 CO 0.05 0.59 0.19 0.00 -1.93 0.00 0.00 178.83 177.72 1tto h ALA 21 N 0.88 0.38 -0.32 3.38 0.00 -0.83 0.20 119.26 122.95 1tto h ALA 21 Ca 0.09 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1tto h ALA 21 Cb 0.34 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1tto h ALA 21 CO 0.01 -0.17 0.14 0.00 0.00 0.00 0.00 179.25 179.22 1tto h ALA 22 N 1.12 0.38 0.06 0.00 0.00 -1.44 -0.37 119.26 119.01 1tto h ALA 22 Ca 0.12 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1tto h ALA 22 Cb -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1tto h ALA 22 CO -0.04 -0.25 -0.08 0.78 0.00 0.00 0.00 179.25 179.65 1tto h GLY 23 N 0.29 -0.15 1.11 0.00 0.00 -0.73 -2.79 103.07 100.81 1tto h GLY 23 Ca 0.14 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 1tto h GLY 23 CO -0.12 -0.09 0.46 -1.82 0.00 0.00 0.00 176.54 174.97 1tto h TYR 24 N -0.18 1.14 -0.49 5.60 3.20 -0.33 -2.14 116.97 123.79 1tto h TYR 24 Ca 0.01 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.93 1tto h TYR 24 Cb 0.18 -0.37 -0.06 0.00 1.54 0.00 0.00 36.73 38.03 1tto h TYR 24 CO -0.12 0.79 0.14 -0.22 -1.64 0.00 0.00 178.16 177.11 1tto h LYS 25 N 1.17 0.28 -0.25 1.82 3.64 -0.89 0.12 116.57 122.47 1tto h LYS 25 Ca 0.30 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1tto h LYS 25 Cb 0.02 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1tto h LYS 25 CO -0.05 0.19 0.13 -0.07 -2.27 0.00 0.00 179.45 177.38 1tto h LEU 26 N 0.29 0.32 -0.30 5.20 3.38 -1.23 -2.25 115.31 120.73 1tto h LEU 26 Ca 0.24 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1tto h LEU 26 Cb 0.29 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1tto h LEU 26 CO -0.28 0.33 -0.06 -0.74 0.09 0.00 0.00 178.44 177.78 1tto h HIS 27 N 0.29 -0.14 0.00 1.13 2.76 -0.64 -0.17 115.15 118.39 1tto h HIS 27 Ca 0.09 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1tto h HIS 27 Cb 0.08 0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 1tto h HIS 27 CO -0.03 -0.12 -0.12 1.05 -1.30 0.00 0.00 177.93 177.41 1tto h GLU 28 N 0.01 0.00 -0.51 5.26 4.11 -0.70 -1.78 114.58 120.97 1tto h GLU 28 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1tto h GLU 28 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1tto h GLU 28 CO -0.30 0.12 0.00 -0.25 0.07 0.00 0.00 179.01 178.65 1tto n ASP 29 N -3.39 3.13 -3.53 3.06 8.00 -0.73 -4.95 116.55 118.14 1tto n ASP 29 Ca -0.01 -1.97 -0.26 0.00 0.71 0.00 0.00 54.79 53.26 1tto n ASP 29 Cb 0.30 -0.34 0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1tto n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tto n GLY 30 N 1.44 -0.51 3.39 0.44 0.00 -0.52 -4.98 105.19 104.45 1tto n GLY 30 Ca 0.20 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 46.18 1tto n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tto s GLU 31 N -6.22 1.47 0.21 1.61 2.12 -0.19 -5.02 118.70 112.67 1tto s GLU 31 Ca 0.51 -1.73 -0.05 0.00 0.36 0.00 0.00 54.97 54.06 1tto s GLU 31 Cb -0.25 -1.02 -0.03 0.00 0.26 0.00 0.00 34.13 33.09 1tto s GLU 31 CO 0.63 0.03 0.24 0.95 -0.54 0.00 0.00 175.26 176.56 1tto s THR 32 N -3.10 0.01 0.03 -1.70 -4.23 -1.26 -4.14 115.64 101.26 1tto s THR 32 Ca 0.28 -1.77 -0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1tto s THR 32 Cb 0.04 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 1tto s THR 32 CO 0.10 -0.06 -0.04 0.68 -0.54 0.00 0.00 174.62 174.77 1tto s VAL 33 N -4.09 0.20 0.00 2.29 -7.23 0.07 -4.88 120.40 106.75 1tto s VAL 33 Ca 0.31 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 1tto s VAL 33 Cb 0.04 -0.75 0.00 0.00 0.56 0.00 0.00 36.38 36.24 1tto s VAL 33 CO 0.09 -0.66 0.00 0.61 -0.31 0.00 0.00 175.10 174.83 1tto n GLY 34 N 1.05 -0.57 0.37 2.32 0.00 -1.26 -1.12 105.19 105.98 1tto n GLY 34 Ca -0.20 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.31 1tto n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1tto h SER 35 N 0.00 0.62 -0.47 1.61 0.02 -1.87 -1.25 113.55 112.21 1tto h SER 35 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1tto h SER 35 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1tto h SER 35 CO 0.00 0.34 0.00 0.59 -1.14 0.00 0.00 176.83 176.62 1tto n ASN 36 N -4.53 2.95 -3.24 3.07 3.02 -1.26 -4.99 115.26 110.28 1tto n ASN 36 Ca 0.15 -2.13 -0.18 0.00 -0.03 0.00 0.00 54.58 52.40 1tto n ASN 36 Cb 0.41 -0.39 0.01 0.00 -0.61 0.00 0.00 39.78 39.21 1tto n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1tto n SER 37 N 0.84 -6.72 -4.86 6.41 7.64 -0.47 -4.86 113.62 111.59 1tto n SER 37 Ca 0.17 -0.04 -0.37 0.00 1.01 0.00 0.00 58.87 59.64 1tto n SER 37 Cb 0.51 -3.72 -0.06 0.00 -1.01 0.00 0.00 64.21 59.93 1tto n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1tto s TYR 38 N -2.44 3.65 0.47 1.43 2.02 -0.28 -3.48 117.35 118.72 1tto s TYR 38 Ca 0.19 0.71 -0.13 0.00 -0.37 0.00 0.00 57.07 57.47 1tto s TYR 38 Cb -0.04 -2.07 -0.07 0.00 -0.40 0.00 0.00 41.96 39.38 1tto s TYR 38 CO 0.82 0.70 0.88 -1.25 -1.57 0.00 0.00 175.55 175.13 1tto s PRO 39 N -1.09 3.84 0.12 -1.71 0.04 -1.26 -0.75 135.00 134.19 1tto s PRO 39 Ca 0.19 0.71 0.01 0.00 0.04 0.00 0.00 61.00 61.94 1tto s PRO 39 Cb -0.14 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1tto s PRO 39 CO 0.08 -0.18 -0.01 -3.38 0.04 0.00 0.00 177.00 173.55 1tto s HIS 40 N -2.54 0.91 0.36 0.56 -3.43 -1.17 -4.91 115.29 105.07 1tto s HIS 40 Ca 0.55 -1.05 -0.28 0.00 -0.80 0.00 0.00 55.06 53.48 1tto s HIS 40 Cb -0.10 -0.54 -0.11 0.00 -1.43 0.00 0.00 32.58 30.40 1tto s HIS 40 CO 0.33 -0.29 1.46 -1.91 -2.00 0.00 0.00 174.74 172.32 1tto n GLU 41 N -0.09 2.55 -4.50 -0.38 2.13 -1.26 -1.57 120.64 117.53 1tto n GLU 41 Ca -0.09 0.90 -0.33 0.00 0.66 0.00 0.00 57.16 58.29 1tto n GLU 41 Cb 0.62 -2.60 -0.15 0.00 0.27 0.00 0.00 31.44 29.59 1tto n GLU 41 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1tto s PHE 42 N -0.99 2.84 -0.20 4.31 5.36 0.11 -4.72 117.98 124.69 1tto s PHE 42 Ca 0.55 -0.84 -0.11 0.00 -0.96 0.00 0.00 56.93 55.57 1tto s PHE 42 Cb -0.50 -1.91 -0.05 0.00 -0.34 0.00 0.00 43.02 40.22 1tto s PHE 42 CO 0.62 -0.37 0.17 1.03 -1.46 0.00 0.00 175.22 175.21 1tto s ARG 43 N 0.74 4.18 -1.17 10.12 0.52 -1.26 -3.94 118.95 128.13 1tto s ARG 43 Ca -0.05 -0.16 -0.06 0.00 -0.52 0.00 0.00 55.73 54.93 1tto s ARG 43 Cb -0.15 -3.45 0.24 0.00 0.52 0.00 0.00 34.95 32.11 1tto s ARG 43 CO 0.01 0.23 1.69 -1.71 0.02 0.00 0.00 175.30 175.55 1tto n ASN 44 N 3.71 5.88 0.11 0.23 5.15 -1.26 -4.65 115.26 124.43 1tto n ASN 44 Ca -0.15 -3.28 0.12 0.00 -0.60 0.00 0.00 54.58 50.67 1tto n ASN 44 Cb 0.52 -1.36 0.06 0.00 -0.53 0.00 0.00 39.78 38.46 1tto n ASN 44 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 1tto h TRP 45 N 5.52 0.00 -0.64 1.20 5.08 -1.98 -3.35 115.95 121.78 1tto h TRP 45 Ca 0.31 0.00 -0.31 0.00 1.08 0.00 0.00 58.89 59.97 1tto h TRP 45 Cb 0.61 0.00 -0.18 0.00 -3.00 0.00 0.00 29.16 26.58 1tto h TRP 45 CO 1.14 0.00 0.39 -1.71 -1.28 0.00 0.00 178.44 176.98 1tto n ASN 46 N -2.61 3.59 -3.90 0.11 5.15 -1.26 -4.93 115.26 111.40 1tto n ASN 46 Ca 0.01 -3.02 -0.27 0.00 -0.60 0.00 0.00 54.58 50.69 1tto n ASN 46 Cb 0.52 -0.72 0.01 0.00 -0.53 0.00 0.00 39.78 39.07 1tto n ASN 46 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1tto n GLY 47 N -0.48 -0.37 3.80 8.20 0.00 -1.26 -4.97 105.19 110.11 1tto n GLY 47 Ca 0.38 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 46.22 1tto n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tto s PHE 48 N -3.55 2.93 -1.37 1.61 0.08 -1.26 -4.91 117.98 111.50 1tto s PHE 48 Ca 0.33 1.54 -0.15 0.00 0.12 0.00 0.00 56.93 58.77 1tto s PHE 48 Cb -0.17 -3.07 0.07 0.00 -0.57 0.00 0.00 43.02 39.27 1tto s PHE 48 CO 0.85 -1.10 1.97 -3.47 -0.10 0.00 0.00 175.22 173.37 1tto n ASP 49 N -1.56 4.45 -4.67 1.36 2.03 -1.26 -4.95 116.55 111.95 1tto n ASP 49 Ca 0.09 -2.90 -0.38 0.00 0.52 0.00 0.00 54.79 52.13 1tto n ASP 49 Cb 0.52 -1.67 -0.08 0.00 -0.72 0.00 0.00 41.12 39.17 1tto n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1tto s PHE 50 N 3.27 3.37 -0.36 -0.67 0.08 -1.26 -4.96 117.98 117.45 1tto s PHE 50 Ca 0.49 0.56 0.23 0.00 0.12 0.00 0.00 56.93 58.33 1tto s PHE 50 Cb 0.09 -2.49 0.18 0.00 -0.57 0.00 0.00 43.02 40.24 1tto s PHE 50 CO -0.01 0.01 1.30 0.77 -0.10 0.00 0.00 175.22 177.19 1tto h SER 51 N 7.37 0.00 -2.42 1.36 0.02 -1.92 -3.46 113.55 114.50 1tto h SER 51 Ca -0.36 -0.02 -0.47 0.00 -0.84 0.00 0.00 61.79 60.10 1tto h SER 51 Cb 1.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 1tto h SER 51 CO 0.71 0.01 -0.35 0.68 -1.14 0.00 0.00 176.83 176.74 1tto s VAL 52 N -3.28 5.21 0.56 2.27 -7.23 -1.26 -5.09 120.40 111.58 1tto s VAL 52 Ca 0.03 -0.79 -0.17 0.00 -1.81 0.00 0.00 61.98 59.24 1tto s VAL 52 Cb 0.08 -3.85 -0.05 0.00 0.56 0.00 0.00 36.38 33.12 1tto s VAL 52 CO 0.73 -0.39 1.05 -0.94 -0.31 0.00 0.00 175.10 175.24 1tto s SER 53 N -3.96 5.97 0.76 4.85 1.04 -1.26 -5.05 113.70 116.06 1tto s SER 53 Ca 0.36 1.87 -0.07 0.00 0.48 0.00 0.00 55.95 58.58 1tto s SER 53 Cb -0.09 -2.54 0.10 0.00 0.10 0.00 0.00 66.02 63.59 1tto s SER 53 CO 0.31 -1.04 1.07 -0.94 0.98 0.00 0.00 173.24 173.63 1tto s SER 54 N -2.48 4.36 0.76 7.02 1.04 -1.26 -4.72 113.70 118.42 1tto s SER 54 Ca 0.65 0.24 -0.12 0.00 0.48 0.00 0.00 55.95 57.21 1tto s SER 54 Cb -0.16 -0.71 0.05 0.00 0.10 0.00 0.00 66.02 65.30 1tto s SER 54 CO 0.31 -1.89 1.10 -2.16 0.98 0.00 0.00 173.24 171.58 1tto s PRO 55 N -5.36 2.28 0.24 4.02 0.04 -1.26 -4.89 135.00 130.07 1tto s PRO 55 Ca 0.64 1.26 0.10 0.00 0.04 0.00 0.00 61.00 63.04 1tto s PRO 55 Cb -0.08 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1tto s PRO 55 CO 0.46 -1.64 -0.05 0.71 0.04 0.00 0.00 177.00 176.52 1tto s TYR 56 N -2.74 2.63 -0.00 0.56 2.02 -1.25 -3.77 117.35 114.80 1tto s TYR 56 Ca 0.63 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 57.11 1tto s TYR 56 Cb -0.19 -1.20 -0.00 0.00 -0.40 0.00 0.00 41.96 40.17 1tto s TYR 56 CO 0.53 0.60 -0.04 0.71 -1.57 0.00 0.00 175.55 175.78 1tto s TYR 57 N -2.15 0.33 0.04 2.71 2.02 0.70 0.06 117.35 121.07 1tto s TYR 57 Ca 0.29 -0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.94 1tto s TYR 57 Cb -0.07 -0.23 -0.04 0.00 -0.40 0.00 0.00 41.96 41.23 1tto s TYR 57 CO 0.18 -0.01 0.11 -1.83 -1.57 0.00 0.00 175.55 172.42 1tto s GLU 58 N -0.03 3.07 -0.08 -0.62 -1.05 -0.61 -1.53 118.70 117.85 1tto s GLU 58 Ca 0.01 -0.55 -0.10 0.00 -0.15 0.00 0.00 54.97 54.17 1tto s GLU 58 Cb -0.02 -2.85 0.02 0.00 -0.44 0.00 0.00 34.13 30.85 1tto s GLU 58 CO -0.00 0.61 0.27 -0.47 0.95 0.00 0.00 175.26 176.62 1tto s TYR 59 N -1.33 -0.26 0.41 4.83 6.14 -0.61 -3.04 117.35 123.49 1tto s TYR 59 Ca 0.28 0.61 -0.26 0.00 0.64 0.00 0.00 57.07 58.34 1tto s TYR 59 Cb -0.12 0.09 -0.08 0.00 0.42 0.00 0.00 41.96 42.26 1tto s TYR 59 CO 0.20 -0.19 1.27 -2.14 0.64 0.00 0.00 175.55 175.33 1tto s PRO 60 N -0.18 3.94 -0.10 4.97 0.02 -1.26 -0.46 135.00 141.93 1tto s PRO 60 Ca -0.03 2.09 0.02 0.00 0.02 0.00 0.00 61.00 63.10 1tto s PRO 60 Cb -0.03 -2.71 0.01 0.00 0.02 0.00 0.00 34.50 31.79 1tto s PRO 60 CO 0.01 -0.49 -0.17 -1.50 -0.33 0.00 0.00 177.00 174.52 1tto s ILE 61 N -1.30 1.55 -0.12 2.83 2.07 -0.06 -4.53 121.20 121.64 1tto s ILE 61 Ca 0.58 -0.69 -0.08 0.00 -1.41 0.00 0.00 60.65 59.05 1tto s ILE 61 Cb -0.36 -1.40 -0.04 0.00 0.13 0.00 0.00 42.46 40.79 1tto s ILE 61 CO 0.46 0.45 0.15 -0.76 -1.91 0.00 0.00 174.94 173.33 1tto s LEU 62 N 0.79 4.38 0.48 8.50 1.43 -1.26 -4.32 118.68 128.68 1tto s LEU 62 Ca -0.11 0.47 0.21 0.00 -1.03 0.00 0.00 54.13 53.68 1tto s LEU 62 Cb -0.16 -2.09 1.23 0.00 0.03 0.00 0.00 46.19 45.20 1tto s LEU 62 CO 0.01 0.39 2.03 0.77 0.23 0.00 0.00 176.35 179.78 1tto h SER 63 N 5.09 0.00 0.54 2.29 4.64 -1.95 -2.15 113.55 122.00 1tto h SER 63 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1tto h SER 63 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1tto h SER 63 CO 0.59 0.16 0.00 0.77 -0.87 0.00 0.00 176.83 177.48 1tto h SER 64 N 0.00 0.00 0.00 4.97 4.64 -2.00 -3.46 113.55 117.70 1tto h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tto h SER 64 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1tto h SER 64 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1tto n GLY 65 N -0.49 1.02 3.87 -0.77 0.00 -0.81 -5.04 105.19 102.97 1tto n GLY 65 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1tto n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tto s ASP 66 N -2.75 6.50 0.11 1.61 1.01 -1.26 -5.00 116.67 116.89 1tto s ASP 66 Ca 0.00 1.30 -0.30 0.00 0.71 0.00 0.00 52.55 54.26 1tto s ASP 66 Cb 0.00 -2.40 -0.06 0.00 1.01 0.00 0.00 42.92 41.48 1tto s ASP 66 CO 0.00 -0.53 1.02 -0.69 0.21 0.00 0.00 175.17 175.18 1tto s VAL 67 N -2.58 4.37 0.26 -1.27 1.01 -1.26 -4.25 120.40 116.68 1tto s VAL 67 Ca 0.54 1.91 -0.30 0.00 0.00 0.00 0.00 61.98 64.13 1tto s VAL 67 Cb -0.10 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 31.94 1tto s VAL 67 CO 0.35 0.27 1.56 -0.47 0.00 0.00 0.00 175.10 176.81 1tto s TYR 68 N 0.18 2.87 -0.04 5.22 5.04 -1.26 -4.90 117.35 124.47 1tto s TYR 68 Ca 0.49 0.78 0.07 0.00 -2.44 0.00 0.00 57.07 55.97 1tto s TYR 68 Cb -0.25 -4.00 0.11 0.00 0.35 0.00 0.00 41.96 38.18 1tto s TYR 68 CO 0.31 -3.41 1.05 -1.13 -1.34 0.00 0.00 175.55 171.03 1tto n SER 69 N 2.62 0.72 0.00 4.32 3.41 -1.26 -5.00 113.62 118.44 1tto n SER 69 Ca 0.09 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 1tto n SER 69 Cb 0.38 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1tto n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tto n GLY 70 N -0.38 0.91 0.00 5.00 0.00 -1.26 -4.68 105.19 104.78 1tto n GLY 70 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1tto n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tto n GLY 71 N -0.67 0.91 3.68 -0.02 0.00 -1.26 -4.08 105.19 103.76 1tto n GLY 71 Ca 0.00 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 1tto n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tto s SER 72 N -1.00 7.18 0.38 1.61 0.15 -1.26 -4.80 113.70 115.96 1tto s SER 72 Ca 0.00 1.45 0.19 0.00 0.70 0.00 0.00 55.95 58.30 1tto s SER 72 Cb 0.00 -2.54 0.67 0.00 -1.71 0.00 0.00 66.02 62.44 1tto s SER 72 CO 0.00 -0.52 1.73 1.55 1.20 0.00 0.00 173.24 177.20 1tto h PRO 73 N 7.23 0.00 0.00 5.44 0.13 -1.99 -3.50 132.00 139.31 1tto h PRO 73 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1tto h PRO 73 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1tto h PRO 73 CO 0.89 0.36 0.00 0.41 -0.23 0.00 0.00 178.00 179.43 1tto n GLY 74 N 0.30 -1.49 0.04 1.56 0.00 -1.26 -4.42 105.19 99.93 1tto n GLY 74 Ca 0.00 -1.26 0.11 0.00 0.00 0.00 0.00 46.02 44.88 1tto n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tto n ALA 75 N 0.46 3.25 -2.82 4.61 0.00 -1.26 -4.97 120.51 119.78 1tto n ALA 75 Ca 0.00 -0.37 -0.37 0.00 0.00 0.00 0.00 53.44 52.70 1tto n ALA 75 Cb 0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 1tto n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1tto s ASP 76 N -4.09 6.40 0.09 0.00 1.01 -1.26 -1.25 116.67 117.57 1tto s ASP 76 Ca 0.03 0.47 0.04 0.00 0.71 0.00 0.00 52.55 53.81 1tto s ASP 76 Cb 0.14 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.94 1tto s ASP 76 CO 0.79 0.35 -0.12 -0.13 0.21 0.00 0.00 175.17 176.28 1tto s ARG 77 N -0.74 0.85 -0.01 8.23 1.81 -0.32 -0.88 118.95 127.89 1tto s ARG 77 Ca 0.15 -1.09 0.02 0.00 -1.72 0.00 0.00 55.73 53.08 1tto s ARG 77 Cb -0.12 -0.66 -0.03 0.00 -0.45 0.00 0.00 34.95 33.68 1tto s ARG 77 CO 0.04 0.12 -0.03 0.14 -0.68 0.00 0.00 175.30 174.89 1tto s VAL 78 N -2.01 3.93 -0.11 3.52 -7.23 0.39 -1.31 120.40 117.58 1tto s VAL 78 Ca 0.03 -0.65 0.02 0.00 -1.81 0.00 0.00 61.98 59.57 1tto s VAL 78 Cb -0.06 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 1tto s VAL 78 CO 0.01 0.41 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.33 1tto s VAL 79 N -1.02 2.55 0.22 1.32 1.01 0.48 -1.58 120.40 123.38 1tto s VAL 79 Ca 0.18 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 1tto s VAL 79 Cb -0.11 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1tto s VAL 79 CO 0.08 0.55 0.12 0.72 0.00 0.00 0.00 175.10 176.57 1tto s PHE 80 N 0.27 1.28 0.05 5.22 -0.12 -0.58 0.27 117.98 124.35 1tto s PHE 80 Ca -0.13 -1.32 0.00 0.00 -0.05 0.00 0.00 56.93 55.43 1tto s PHE 80 Cb -0.16 -0.67 0.00 0.00 -0.63 0.00 0.00 43.02 41.56 1tto s PHE 80 CO 0.07 -0.55 0.01 0.27 -0.05 0.00 0.00 175.22 174.97 1tto n ASN 81 N -0.33 1.95 0.00 1.98 0.23 -0.73 -0.22 115.26 118.14 1tto n ASN 81 Ca 0.01 -1.19 0.07 0.00 -0.53 0.00 0.00 54.58 52.94 1tto n ASN 81 Cb 0.66 0.03 0.32 0.00 -2.08 0.00 0.00 39.78 38.71 1tto n ASN 81 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1tto n GLU 82 N -0.20 0.03 -0.32 -3.83 1.02 -1.25 -1.48 120.64 114.61 1tto n GLU 82 Ca -0.02 0.23 0.11 0.00 -0.02 0.00 0.00 57.16 57.47 1tto n GLU 82 Cb 0.06 -1.50 0.29 0.00 -0.02 0.00 0.00 31.44 30.27 1tto n GLU 82 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1tto n ASN 83 N -1.47 3.64 -3.64 1.62 3.02 -1.26 -4.92 115.26 112.25 1tto n ASN 83 Ca 0.04 -1.99 -0.24 0.00 -0.03 0.00 0.00 54.58 52.35 1tto n ASN 83 Cb 0.17 -0.42 0.07 0.00 -0.61 0.00 0.00 39.78 38.98 1tto n ASN 83 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1tto n ASN 84 N 1.51 -5.30 -4.74 6.41 5.15 -0.55 -4.98 115.26 112.75 1tto n ASN 84 Ca 0.22 -0.61 -0.36 0.00 -0.60 0.00 0.00 54.58 53.24 1tto n ASN 84 Cb 0.58 -4.79 -0.08 0.00 -0.53 0.00 0.00 39.78 34.96 1tto n ASN 84 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1tto s GLN 85 N -6.24 3.19 0.04 1.20 -0.21 -1.26 -4.91 119.66 111.48 1tto s GLN 85 Ca 0.50 -0.31 -0.30 0.00 0.02 0.00 0.00 55.36 55.26 1tto s GLN 85 Cb -0.23 -2.95 -0.05 0.00 1.00 0.00 0.00 33.01 30.78 1tto s GLN 85 CO 0.75 0.70 1.21 -1.17 -2.12 0.00 0.00 175.29 174.67 1tto s LEU 86 N -0.86 4.35 -0.23 2.90 2.96 -1.26 -1.78 118.68 124.76 1tto s LEU 86 Ca 0.13 1.99 -0.06 0.00 -0.22 0.00 0.00 54.13 55.98 1tto s LEU 86 Cb -0.12 -3.57 -0.18 0.00 0.50 0.00 0.00 46.19 42.82 1tto s LEU 86 CO 0.03 -0.50 -0.10 0.00 -1.32 0.00 0.00 176.35 174.45 1tto n ALA 87 N 4.21 1.22 0.00 5.97 0.00 0.14 -4.81 120.51 127.23 1tto n ALA 87 Ca 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1tto n ALA 87 Cb 0.46 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1tto n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tto n GLY 88 N 1.89 -1.00 3.06 0.00 0.00 -1.07 -4.61 105.19 103.47 1tto n GLY 88 Ca -0.44 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 1tto n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tto s VAL 89 N -2.00 1.54 0.39 1.61 1.01 -1.26 -0.38 120.40 121.30 1tto s VAL 89 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1tto s VAL 89 Cb 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1tto s VAL 89 CO 0.00 0.45 0.06 0.27 0.00 0.00 0.00 175.10 175.88 1tto s ILE 90 N 1.03 1.20 0.03 2.22 -4.36 -0.43 -1.13 121.20 119.77 1tto s ILE 90 Ca -0.05 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.07 1tto s ILE 90 Cb -0.15 -2.63 0.06 0.00 1.25 0.00 0.00 42.46 41.00 1tto s ILE 90 CO -0.03 0.00 0.61 0.28 0.24 0.00 0.00 174.94 176.04 1tto s THR 91 N -3.10 0.01 -0.33 8.37 -1.32 -0.27 -1.17 115.64 117.82 1tto s THR 91 Ca 0.28 -0.07 0.21 0.00 -1.21 0.00 0.00 61.69 60.90 1tto s THR 91 Cb 0.06 -0.99 0.20 0.00 -1.51 0.00 0.00 72.50 70.27 1tto s THR 91 CO 0.14 -0.04 1.44 0.45 -2.21 0.00 0.00 174.62 174.40 1tto h HIS 92 N 2.70 0.00 -2.49 9.09 3.86 -1.39 -0.28 115.15 126.64 1tto h HIS 92 Ca -0.30 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.38 1tto h HIS 92 Cb 1.20 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.69 1tto h HIS 92 CO 0.34 0.13 1.16 0.99 0.86 0.00 0.00 177.93 181.41 1tto s THR 93 N -3.17 3.15 0.00 2.45 2.01 -1.26 -1.16 115.64 117.65 1tto s THR 93 Ca 0.05 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.32 1tto s THR 93 Cb 0.06 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1tto s THR 93 CO 0.71 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 1tto n GLY 94 N 4.34 0.79 3.88 4.40 0.00 -1.26 -4.66 105.19 112.67 1tto n GLY 94 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1tto n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tto s ALA 95 N -2.77 3.79 0.26 4.61 0.00 -0.31 -4.95 121.76 122.38 1tto s ALA 95 Ca 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 51.96 50.45 1tto s ALA 95 Cb 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 23.12 21.64 1tto s ALA 95 CO 0.00 0.17 0.57 -1.54 0.00 0.00 0.00 175.76 174.96 1tto s SER 96 N -3.94 6.57 0.59 0.00 1.04 -1.26 -4.86 113.70 111.84 1tto s SER 96 Ca 0.36 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.68 1tto s SER 96 Cb -0.08 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1tto s SER 96 CO 0.27 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1tto n GLY 97 N -0.41 2.76 1.99 7.32 0.00 -1.26 -0.95 105.19 114.63 1tto n GLY 97 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 1tto n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tto n ASN 98 N 1.85 3.98 -3.65 1.61 3.02 -1.26 -4.98 115.26 115.84 1tto n ASN 98 Ca 0.00 -3.68 -0.16 0.00 -0.03 0.00 0.00 54.58 50.70 1tto n ASN 98 Cb 0.00 -0.80 0.09 0.00 -0.61 0.00 0.00 39.78 38.47 1tto n ASN 98 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1tto n ASN 99 N -1.10 0.76 -4.34 6.41 3.02 -0.12 -5.09 115.26 114.80 1tto n ASN 99 Ca 0.54 -1.69 -0.18 0.00 -0.03 0.00 0.00 54.58 53.21 1tto n ASN 99 Cb 1.38 -0.48 -0.10 0.00 -0.61 0.00 0.00 39.78 39.96 1tto n ASN 99 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1tto s PHE 100 N -2.19 1.66 0.02 3.10 0.08 -1.26 -4.45 117.98 114.95 1tto s PHE 100 Ca 0.46 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.89 1tto s PHE 100 Cb -0.02 -0.82 -0.01 0.00 -0.57 0.00 0.00 43.02 41.59 1tto s PHE 100 CO 0.31 0.28 -0.07 0.14 -0.10 0.00 0.00 175.22 175.78 1tto s VAL 101 N -3.06 0.50 0.29 -0.44 -7.23 -0.12 -4.90 120.40 105.45 1tto s VAL 101 Ca 0.23 -0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 59.45 1tto s VAL 101 Cb 0.01 -0.50 -0.10 0.00 0.56 0.00 0.00 36.38 36.35 1tto s VAL 101 CO 0.07 -0.12 1.16 -1.61 -0.31 0.00 0.00 175.10 174.28 1tto s GLU 102 N -0.84 4.56 0.68 4.82 2.02 -1.26 -1.12 118.70 127.56 1tto s GLU 102 Ca -0.04 1.91 -0.11 0.00 0.02 0.00 0.00 54.97 56.75 1tto s GLU 102 Cb -0.06 -3.16 -0.00 0.00 0.10 0.00 0.00 34.13 31.00 1tto s GLU 102 CO 0.00 0.10 1.05 0.00 0.02 0.00 0.00 175.26 176.43