#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvl n GLN 2 N 0.00 4.23 -0.02 4.33 7.27 -1.26 -4.93 117.38 127.01 1nvl n GLN 2 Ca 0.00 -4.66 0.08 0.00 0.07 0.00 0.00 57.00 52.49 1nvl n GLN 2 Cb 0.00 -2.41 0.13 0.00 2.41 0.00 0.00 30.24 30.37 1nvl n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nvl n ALA 3 N 0.59 0.30 -0.35 1.69 0.00 -1.26 -1.15 120.51 120.33 1nvl n ALA 3 Ca 0.34 0.10 0.24 0.00 0.00 0.00 0.00 53.44 54.12 1nvl n ALA 3 Cb 0.33 -0.18 0.49 0.00 0.00 0.00 0.00 19.45 20.09 1nvl n ALA 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1nvl h GLU 4 N 0.00 0.38 0.48 0.00 5.08 -1.98 0.28 114.58 118.82 1nvl h GLU 4 Ca 0.15 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1nvl h GLU 4 Cb 1.17 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1nvl h GLU 4 CO -0.00 0.25 -0.23 0.35 -1.00 0.00 0.00 179.01 178.37 1nvl h PHE 5 N 0.39 -0.60 -0.51 4.33 3.57 -1.49 0.30 116.94 122.92 1nvl h PHE 5 Ca 0.67 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.26 1nvl h PHE 5 Cb 1.61 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 40.46 1nvl h PHE 5 CO -0.01 -0.28 -0.04 -0.44 -2.23 0.00 0.00 178.31 175.32 1nvl h ASP 6 N -0.94 -0.30 0.33 0.41 5.19 -1.00 0.76 116.42 120.87 1nvl h ASP 6 Ca -0.07 0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1nvl h ASP 6 Cb 0.59 0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.34 1nvl h ASP 6 CO 0.11 -0.11 -0.29 0.50 -3.12 0.00 0.00 179.24 176.33 1nvl h LYS 7 N 0.07 -0.61 -1.22 3.56 3.64 -0.57 -1.07 116.57 120.37 1nvl h LYS 7 Ca 0.26 0.04 0.39 0.00 -1.27 0.00 0.00 60.65 60.07 1nvl h LYS 7 Cb 0.39 0.14 -0.13 0.00 -0.41 0.00 0.00 32.23 32.22 1nvl h LYS 7 CO -0.46 -0.41 0.78 0.00 -2.27 0.00 0.00 179.45 177.09 1nvl h ALA 8 N -0.06 2.54 -0.70 5.00 0.00 0.19 0.36 119.26 126.59 1nvl h ALA 8 Ca -0.02 0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1nvl h ALA 8 Cb 0.56 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 1nvl h ALA 8 CO -0.03 -1.14 0.30 0.00 0.00 0.00 0.00 179.25 178.38 1nvl h ALA 9 N 1.65 0.96 0.22 0.00 0.00 0.20 -2.35 119.26 119.93 1nvl h ALA 9 Ca 0.77 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.77 1nvl h ALA 9 Cb 2.28 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 20.06 1nvl h ALA 9 CO -0.43 -0.14 -0.52 0.93 0.00 0.00 0.00 179.25 179.09 1nvl h GLU 10 N 0.50 -0.78 -0.83 0.00 5.08 -0.35 -3.02 114.58 115.17 1nvl h GLU 10 Ca 0.36 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.85 1nvl h GLU 10 Cb 0.46 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.79 1nvl h GLU 10 CO -0.32 -0.52 -0.49 0.39 -1.00 0.00 0.00 179.01 177.06 1nvl n GLU 11 N -5.43 -0.37 -0.02 2.33 1.02 -0.91 -1.38 120.64 115.89 1nvl n GLU 11 Ca -0.09 1.36 0.24 0.00 -0.02 0.00 0.00 57.16 58.64 1nvl n GLU 11 Cb 0.42 -2.00 0.71 0.00 -0.02 0.00 0.00 31.44 30.55 1nvl n GLU 11 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1nvl h VAL 12 N 0.00 0.37 -0.51 2.62 3.04 -1.35 0.93 116.25 121.35 1nvl h VAL 12 Ca 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.82 1nvl h VAL 12 Cb 0.34 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 1nvl h VAL 12 CO -0.78 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 176.07 1nvl n LYS 13 N -3.80 2.46 -0.00 4.17 5.02 -0.48 -3.13 118.16 122.40 1nvl n LYS 13 Ca 0.12 -1.95 0.06 0.00 -2.02 0.00 0.00 58.31 54.52 1nvl n LYS 13 Cb 0.82 -1.51 -0.08 0.00 -0.02 0.00 0.00 35.03 34.24 1nvl n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1nvl n HIS 14 N 0.96 0.00 -1.69 2.13 8.25 0.31 -4.85 115.22 120.33 1nvl n HIS 14 Ca 0.18 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.47 1nvl n HIS 14 Cb 0.52 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 1nvl n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1nvl s LEU 15 N -3.07 2.93 0.00 2.41 1.43 -1.13 -4.74 118.68 116.52 1nvl s LEU 15 Ca 0.01 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1nvl s LEU 15 Cb 0.09 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1nvl s LEU 15 CO 0.53 -3.62 0.32 0.29 0.23 0.00 0.00 176.35 174.10 1nvl n LYS 16 N 8.83 0.00 -3.47 1.70 4.01 -1.26 -3.82 118.16 124.15 1nvl n LYS 16 Ca 0.45 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.98 1nvl n LYS 16 Cb 0.44 -1.72 -0.11 0.00 -0.51 0.00 0.00 35.03 33.14 1nvl n LYS 16 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1nvl s THR 17 N -1.57 0.63 0.00 -0.18 2.01 -1.26 -5.07 115.64 110.20 1nvl s THR 17 Ca 0.00 -2.70 0.00 0.00 0.31 0.00 0.00 61.69 59.30 1nvl s THR 17 Cb 0.00 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 71.06 1nvl s THR 17 CO 0.00 -1.17 0.00 1.17 -0.69 0.00 0.00 174.62 173.93 1nvl n LYS 18 N 2.93 0.00 -0.95 4.92 4.81 -1.25 -4.77 118.16 123.85 1nvl n LYS 18 Ca 0.26 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.35 1nvl n LYS 18 Cb 0.45 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.58 1nvl n LYS 18 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1nvl n PRO 19 N 0.00 -0.10 -1.10 1.64 -0.02 -1.26 -4.80 135.00 129.37 1nvl n PRO 19 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.09 1nvl n PRO 19 Cb 0.00 -1.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1nvl n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nvl n ALA 20 N -2.97 -2.56 -0.10 3.55 0.00 -1.26 -4.48 120.51 112.68 1nvl n ALA 20 Ca 0.05 0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.79 1nvl n ALA 20 Cb 0.53 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.73 1nvl n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nvl h ASP 21 N 1.10 0.15 -0.11 0.00 3.32 -1.99 0.20 116.42 119.09 1nvl h ASP 21 Ca -0.25 0.04 0.03 0.00 0.02 0.00 0.00 57.03 56.86 1nvl h ASP 21 Cb 1.11 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 1nvl h ASP 21 CO 0.45 0.12 0.31 -0.33 -1.72 0.00 0.00 179.24 178.08 1nvl h GLU 22 N 0.28 0.00 0.00 3.56 3.07 -1.99 0.51 114.58 120.02 1nvl h GLU 22 Ca 0.16 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.91 1nvl h GLU 22 Cb 0.13 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 1nvl h GLU 22 CO -0.16 0.00 -0.62 0.93 -1.40 0.00 0.00 179.01 177.76 1nvl h GLU 23 N 0.00 0.00 -0.12 2.33 4.39 -1.04 -3.15 114.58 116.98 1nvl h GLU 23 Ca 0.05 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.80 1nvl h GLU 23 Cb 0.68 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.26 1nvl h GLU 23 CO -0.00 0.94 -0.37 0.52 -1.16 0.00 0.00 179.01 178.94 1nvl h MET 24 N -1.00 -0.43 -0.98 2.33 2.86 0.92 0.14 114.93 118.77 1nvl h MET 24 Ca -0.17 0.03 0.22 0.00 -2.06 0.00 0.00 59.70 57.73 1nvl h MET 24 Cb 1.10 0.10 -0.18 0.00 0.06 0.00 0.00 31.60 32.67 1nvl h MET 24 CO -0.10 -0.29 -0.14 -0.07 1.06 0.00 0.00 176.91 177.37 1nvl h LEU 25 N -0.45 -0.74 0.22 1.22 3.38 -0.19 0.37 115.31 119.12 1nvl h LEU 25 Ca 0.09 0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1nvl h LEU 25 Cb 0.59 0.56 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1nvl h LEU 25 CO -0.37 -0.33 -0.11 0.15 0.09 0.00 0.00 178.44 177.87 1nvl h PHE 26 N 0.00 -0.27 -0.97 1.13 3.04 -1.01 0.95 116.94 119.80 1nvl h PHE 26 Ca 0.52 -0.01 0.20 0.00 3.98 0.00 0.00 57.97 62.66 1nvl h PHE 26 Cb 0.91 0.09 -0.18 0.00 2.56 0.00 0.00 35.95 39.33 1nvl h PHE 26 CO -0.66 -0.17 -0.24 -0.89 -2.02 0.00 0.00 178.31 174.34 1nvl n ILE 27 N -3.31 -0.41 0.16 1.41 2.08 0.30 -0.52 119.36 119.08 1nvl n ILE 27 Ca -0.04 2.23 -0.12 0.00 0.56 0.00 0.00 62.75 65.38 1nvl n ILE 27 Cb 0.12 -3.09 -0.07 0.00 -0.75 0.00 0.00 39.64 35.85 1nvl n ILE 27 CO 0.00 0.00 0.00 0.22 0.56 0.00 0.00 176.55 177.33 1nvl h TYR 28 N 0.00 -0.42 -0.65 1.39 3.20 -0.35 0.30 116.97 120.44 1nvl h TYR 28 Ca 0.47 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.46 1nvl h TYR 28 Cb 0.73 0.14 -0.12 0.00 1.54 0.00 0.00 36.73 39.01 1nvl h TYR 28 CO -0.74 -0.09 -0.17 0.66 -1.64 0.00 0.00 178.16 176.18 1nvl h SER 29 N -0.91 -0.62 0.64 -2.11 4.64 0.46 0.05 113.55 115.69 1nvl h SER 29 Ca -0.05 0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 1nvl h SER 29 Cb 0.53 0.41 0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1nvl h SER 29 CO 0.08 -0.22 -0.31 0.45 -0.87 0.00 0.00 176.83 175.96 1nvl h HIS 30 N -0.01 -0.80 -0.79 4.77 3.86 -0.83 0.10 115.15 121.45 1nvl h HIS 30 Ca 0.31 -0.02 0.16 0.00 -1.16 0.00 0.00 60.37 59.66 1nvl h HIS 30 Cb 0.48 0.26 -0.15 0.00 1.06 0.00 0.00 27.41 29.06 1nvl h HIS 30 CO -0.53 -0.46 -0.22 -0.92 0.86 0.00 0.00 177.93 176.66 1nvl h TYR 31 N -1.01 -0.48 0.05 2.45 3.20 0.69 0.22 116.97 122.08 1nvl h TYR 31 Ca -0.09 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1nvl h TYR 31 Cb 0.70 0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1nvl h TYR 31 CO -0.01 -0.35 -0.02 0.87 -1.64 0.00 0.00 178.16 177.01 1nvl h LYS 32 N -0.01 -0.06 -0.99 1.82 1.57 -0.96 0.48 116.57 118.42 1nvl h LYS 32 Ca 0.37 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.32 1nvl h LYS 32 Cb 0.58 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.81 1nvl h LYS 32 CO -0.82 0.49 0.62 -0.56 -0.57 0.00 0.00 179.45 178.60 1nvl h GLN 33 N -0.67 0.80 0.22 3.15 -0.00 -0.27 0.41 115.11 118.75 1nvl h GLN 33 Ca -0.01 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 1nvl h GLN 33 Cb 0.58 -0.18 0.00 0.00 -0.00 0.00 0.00 27.48 27.88 1nvl h GLN 33 CO 0.01 0.53 -0.10 0.00 -0.00 0.00 0.00 178.83 179.27 1nvl h ALA 34 N 1.60 -0.29 0.06 0.06 0.00 -0.57 -2.86 119.26 117.26 1nvl h ALA 34 Ca 0.53 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 1nvl h ALA 34 Cb 0.75 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.66 1nvl h ALA 34 CO -0.31 -0.32 -0.49 1.79 0.00 0.00 0.00 179.25 179.92 1nvl h THR 35 N -0.97 1.57 0.00 0.00 1.35 -0.73 -3.41 112.91 110.72 1nvl h THR 35 Ca -0.03 -2.31 -0.00 0.00 -0.55 0.00 0.00 66.41 63.52 1nvl h THR 35 Cb 0.45 3.07 -0.00 0.00 -1.73 0.00 0.00 68.15 69.94 1nvl h THR 35 CO 0.05 0.64 -0.28 0.58 -0.25 0.00 0.00 175.52 176.26 1nvl h VAL 36 N -0.50 0.00 0.00 6.82 2.07 -0.51 -3.51 116.25 120.63 1nvl h VAL 36 Ca -0.08 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1nvl h VAL 36 Cb 1.32 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1nvl h VAL 36 CO 0.09 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1nvl n GLY 37 N 1.69 0.44 3.32 2.17 0.00 0.50 -4.98 105.19 108.34 1nvl n GLY 37 Ca -0.04 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 1nvl n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nvl n ASP 38 N 0.00 -2.22 -4.16 1.61 8.00 -1.26 -4.04 116.55 114.48 1nvl n ASP 38 Ca 0.00 -0.08 -0.38 0.00 0.71 0.00 0.00 54.79 55.04 1nvl n ASP 38 Cb 0.00 -1.03 -0.05 0.00 -0.02 0.00 0.00 41.12 40.01 1nvl n ASP 38 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1nvl s ILE 39 N -2.28 4.64 -0.44 0.53 2.07 -1.26 -4.81 121.20 119.64 1nvl s ILE 39 Ca 0.58 -3.66 -0.02 0.00 -1.41 0.00 0.00 60.65 56.14 1nvl s ILE 39 Cb -0.15 -3.87 0.20 0.00 0.13 0.00 0.00 42.46 38.77 1nvl s ILE 39 CO 0.66 -1.08 2.29 0.59 -1.91 0.00 0.00 174.94 175.48 1nvl n ASN 40 N 2.56 6.70 -4.15 4.50 3.02 -1.26 -4.80 115.26 121.82 1nvl n ASN 40 Ca 0.20 -3.26 -0.17 0.00 -0.03 0.00 0.00 54.58 51.32 1nvl n ASN 40 Cb 0.38 -1.11 -0.10 0.00 -0.61 0.00 0.00 39.78 38.34 1nvl n ASN 40 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1nvl s THR 41 N -2.78 0.41 0.58 3.41 -4.23 -1.26 -5.18 115.64 106.59 1nvl s THR 41 Ca 0.47 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.02 1nvl s THR 41 Cb 0.34 -2.57 0.07 0.00 1.34 0.00 0.00 72.50 71.69 1nvl s THR 41 CO -0.10 0.00 0.80 -1.83 -0.54 0.00 0.00 174.62 172.95 1nvl s GLU 42 N -3.94 2.28 0.04 3.99 -1.05 -1.26 -5.10 118.70 113.66 1nvl s GLU 42 Ca 0.37 -1.24 -0.09 0.00 -0.15 0.00 0.00 54.97 53.86 1nvl s GLU 42 Cb 0.06 -2.55 -0.05 0.00 -0.44 0.00 0.00 34.13 31.15 1nvl s GLU 42 CO 0.15 -0.88 0.34 0.50 0.95 0.00 0.00 175.26 176.33 1nvl s ARG 43 N -4.75 3.70 0.45 -4.83 3.52 -1.26 -5.00 118.95 110.78 1nvl s ARG 43 Ca 0.61 0.10 0.22 0.00 -0.13 0.00 0.00 55.73 56.53 1nvl s ARG 43 Cb -0.07 -3.05 1.22 0.00 -1.56 0.00 0.00 34.95 31.48 1nvl s ARG 43 CO 0.39 0.61 1.85 -1.35 -0.81 0.00 0.00 175.30 175.99 1nvl h PRO 44 N 3.95 0.27 0.00 5.12 0.11 -1.88 -3.45 132.00 136.11 1nvl h PRO 44 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1nvl h PRO 44 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1nvl h PRO 44 CO 0.66 0.18 0.00 0.41 -0.21 0.00 0.00 178.00 179.03 1nvl n GLY 45 N -1.57 -0.36 0.26 -0.55 0.00 -1.26 -3.93 105.19 97.78 1nvl n GLY 45 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 1nvl n GLY 45 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1nvl h MET 46 N 0.00 0.75 -5.49 1.61 2.86 -2.02 -3.40 114.93 109.24 1nvl h MET 46 Ca 0.00 -0.05 -0.63 0.00 -2.06 0.00 0.00 59.70 56.96 1nvl h MET 46 Cb 0.00 -0.17 -0.14 0.00 0.06 0.00 0.00 31.60 31.36 1nvl h MET 46 CO 0.00 0.50 0.15 -0.51 1.06 0.00 0.00 176.91 178.11 1nvl s LEU 47 N -10.20 4.28 -0.07 1.22 2.01 -1.25 -4.89 118.68 109.77 1nvl s LEU 47 Ca -0.13 0.08 0.05 0.00 0.01 0.00 0.00 54.13 54.15 1nvl s LEU 47 Cb 0.15 -2.79 -0.24 0.00 0.01 0.00 0.00 46.19 43.31 1nvl s LEU 47 CO 0.76 -0.63 0.55 -0.90 1.01 0.00 0.00 176.35 177.14 1nvl n ASP 48 N 6.10 1.33 -3.33 2.29 5.75 -1.26 -0.63 116.55 126.81 1nvl n ASP 48 Ca -0.01 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.11 1nvl n ASP 48 Cb 0.48 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1nvl n ASP 48 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1nvl n PHE 49 N -3.20 0.00 -0.48 2.11 -1.74 -1.26 -4.28 117.46 108.61 1nvl n PHE 49 Ca -0.22 0.00 0.36 0.00 -0.56 0.00 0.00 57.45 57.03 1nvl n PHE 49 Cb 1.05 0.00 0.55 0.00 1.52 0.00 0.00 39.48 42.60 1nvl n PHE 49 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1nvl n LYS 50 N 0.00 0.00 0.12 3.97 5.02 -1.26 -1.69 118.16 124.31 1nvl n LYS 50 Ca 0.00 0.73 -0.05 0.00 -2.02 0.00 0.00 58.31 56.97 1nvl n LYS 50 Cb 0.00 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 33.30 1nvl n LYS 50 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1nvl h GLY 51 N 0.00 -0.32 1.52 0.72 0.00 -1.85 0.12 103.07 103.26 1nvl h GLY 51 Ca 0.63 0.12 -0.07 0.00 0.00 0.00 0.00 47.33 48.01 1nvl h GLY 51 CO -0.01 -0.12 -0.07 1.70 0.00 0.00 0.00 176.54 178.04 1nvl h LYS 52 N -0.43 0.58 -0.37 4.80 3.11 -0.18 -2.97 116.57 121.12 1nvl h LYS 52 Ca -0.03 -0.16 0.04 0.00 -2.81 0.00 0.00 60.65 57.69 1nvl h LYS 52 Cb 0.24 -0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 31.35 1nvl h LYS 52 CO 0.05 0.66 -0.29 0.00 -2.81 0.00 0.00 179.45 177.07 1nvl h ALA 53 N 1.38 -0.39 0.00 5.00 0.00 -1.31 0.53 119.26 124.47 1nvl h ALA 53 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nvl h ALA 53 Cb 0.46 1.07 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1nvl h ALA 53 CO 0.02 -0.57 0.04 0.36 0.00 0.00 0.00 179.25 179.10 1nvl n LYS 54 N -4.08 0.00 -0.13 0.00 2.85 0.02 0.01 118.16 116.83 1nvl n LYS 54 Ca -0.00 0.32 -0.28 0.00 -1.05 0.00 0.00 58.31 57.30 1nvl n LYS 54 Cb 0.15 -1.54 -0.09 0.00 -0.65 0.00 0.00 35.03 32.90 1nvl n LYS 54 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 177.40 179.22 1nvl n TRP 55 N -1.30 0.00 0.23 5.58 -0.00 0.15 -3.99 117.44 118.11 1nvl n TRP 55 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.35 1nvl n TRP 55 Cb 0.04 -0.94 -0.08 0.00 -0.00 0.00 0.00 31.31 30.33 1nvl n TRP 55 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1nvl h ASP 56 N -0.98 -0.83 0.00 5.87 5.19 -0.35 0.23 116.42 125.56 1nvl h ASP 56 Ca -0.65 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 55.83 1nvl h ASP 56 Cb 1.56 0.27 0.00 0.00 0.18 0.00 0.00 39.33 41.34 1nvl h ASP 56 CO -0.39 -0.46 0.33 0.00 -3.12 0.00 0.00 179.24 175.60 1nvl h ALA 57 N -0.18 1.30 0.04 3.45 0.00 -0.59 0.50 119.26 123.78 1nvl h ALA 57 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.50 1nvl h ALA 57 Cb 0.61 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1nvl h ALA 57 CO -0.02 -0.30 -2.25 1.87 0.00 0.00 0.00 179.25 178.54 1nvl n TRP 58 N -2.61 0.49 -0.30 0.00 -0.00 0.25 -4.01 117.44 111.26 1nvl n TRP 58 Ca -0.02 0.12 0.04 0.00 -0.00 0.00 0.00 57.50 57.64 1nvl n TRP 58 Cb 0.37 -1.06 0.18 0.00 -0.00 0.00 0.00 31.31 30.79 1nvl n TRP 58 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 1nvl h ASN 59 N -0.14 0.70 0.00 5.87 -1.24 0.96 0.28 115.58 122.01 1nvl h ASN 59 Ca -0.53 0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.53 1nvl h ASN 59 Cb 1.88 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.84 1nvl h ASN 59 CO -0.07 0.40 0.38 -0.62 -1.29 0.00 0.00 177.43 176.23 1nvl n GLU 60 N -4.73 0.05 -1.57 6.67 1.02 0.00 -1.09 120.64 120.99 1nvl n GLU 60 Ca 0.14 0.47 -0.08 0.00 -0.02 0.00 0.00 57.16 57.67 1nvl n GLU 60 Cb 0.29 -2.06 0.09 0.00 -0.02 0.00 0.00 31.44 29.74 1nvl n GLU 60 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nvl n LEU 61 N -1.80 3.43 -4.94 -4.62 4.77 0.99 -5.06 117.00 109.77 1nvl n LEU 61 Ca -0.01 -4.02 -0.24 0.00 -0.03 0.00 0.00 56.01 51.72 1nvl n LEU 61 Cb 0.40 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1nvl n LEU 61 CO 0.03 1.60 0.17 -0.75 -1.33 0.00 0.00 177.39 177.12 1nvl s LYS 62 N -3.18 3.47 0.00 3.23 2.47 -0.25 -4.14 119.74 121.34 1nvl s LYS 62 Ca 0.42 -0.35 0.00 0.00 -1.56 0.00 0.00 55.97 54.48 1nvl s LYS 62 Cb 0.38 -2.66 0.00 0.00 -1.46 0.00 0.00 37.83 34.09 1nvl s LYS 62 CO -0.03 0.14 0.00 0.41 0.16 0.00 0.00 175.35 176.03 1nvl n GLY 63 N -1.79 0.39 4.00 5.54 0.00 -1.26 -4.96 105.19 107.11 1nvl n GLY 63 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1nvl n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nvl s THR 64 N -1.99 2.55 -0.42 2.61 2.01 -1.26 -5.06 115.64 114.08 1nvl s THR 64 Ca 0.00 -0.84 -0.23 0.00 0.31 0.00 0.00 61.69 60.94 1nvl s THR 64 Cb 0.00 -2.72 0.02 0.00 0.01 0.00 0.00 72.50 69.81 1nvl s THR 64 CO 0.00 0.00 0.77 -0.44 -0.69 0.00 0.00 174.62 174.26 1nvl s SER 65 N -4.51 6.44 0.17 3.53 0.01 -1.26 -4.94 113.70 113.13 1nvl s SER 65 Ca 0.59 0.00 -0.14 0.00 1.31 0.00 0.00 55.95 57.71 1nvl s SER 65 Cb -0.08 -2.38 0.15 0.00 0.21 0.00 0.00 66.02 63.92 1nvl s SER 65 CO 0.38 -0.85 1.15 0.29 0.41 0.00 0.00 173.24 174.63 1nvl n LYS 66 N 6.58 -0.19 -0.07 12.44 4.01 -1.26 -1.39 118.16 138.28 1nvl n LYS 66 Ca 0.02 1.14 -0.13 0.00 -0.51 0.00 0.00 58.31 58.83 1nvl n LYS 66 Cb 0.48 -1.70 -0.08 0.00 -0.51 0.00 0.00 35.03 33.22 1nvl n LYS 66 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1nvl h GLU 67 N 0.00 -0.45 -0.61 1.97 5.08 -1.92 -0.91 114.58 117.74 1nvl h GLU 67 Ca 0.24 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.76 1nvl h GLU 67 Cb 0.43 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.68 1nvl h GLU 67 CO -0.73 -0.30 0.03 -0.44 -1.00 0.00 0.00 179.01 176.57 1nvl h ASP 68 N -0.47 -0.20 -0.69 1.42 3.32 -1.65 0.30 116.42 118.45 1nvl h ASP 68 Ca 0.07 0.14 0.12 0.00 0.02 0.00 0.00 57.03 57.38 1nvl h ASP 68 Cb 0.63 0.24 -0.08 0.00 0.22 0.00 0.00 39.33 40.34 1nvl h ASP 68 CO -0.51 -0.09 0.26 0.00 -1.72 0.00 0.00 179.24 177.19 1nvl h ALA 69 N 1.54 0.93 0.49 3.45 0.00 -1.18 -1.48 119.26 123.01 1nvl h ALA 69 Ca 0.32 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1nvl h ALA 69 Cb 0.51 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1nvl h ALA 69 CO -0.50 -0.20 -0.46 0.52 0.00 0.00 0.00 179.25 178.62 1nvl h MET 70 N 0.43 -0.91 -0.85 0.00 2.86 0.84 0.40 114.93 117.70 1nvl h MET 70 Ca 0.36 0.06 0.09 0.00 -2.06 0.00 0.00 59.70 58.16 1nvl h MET 70 Cb 0.50 0.21 -0.11 0.00 0.06 0.00 0.00 31.60 32.26 1nvl h MET 70 CO -0.36 -0.61 -0.45 1.63 1.06 0.00 0.00 176.91 178.18 1nvl n LYS 71 N -5.54 -0.33 0.08 1.72 4.76 -0.47 -0.34 118.16 118.05 1nvl n LYS 71 Ca -0.12 1.29 -0.13 0.00 -2.87 0.00 0.00 58.31 56.49 1nvl n LYS 71 Cb 0.44 -1.91 -0.08 0.00 -1.84 0.00 0.00 35.03 31.64 1nvl n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nvl h ALA 72 N 0.64 -0.23 -1.00 7.82 0.00 -1.27 -2.05 119.26 123.17 1nvl h ALA 72 Ca 0.18 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.09 1nvl h ALA 72 Cb 0.39 0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.09 1nvl h ALA 72 CO -0.81 -0.44 -0.28 0.98 0.00 0.00 0.00 179.25 178.70 1nvl n TYR 73 N -5.02 0.28 0.31 0.00 9.36 0.14 0.67 117.16 122.90 1nvl n TYR 73 Ca -0.09 1.22 -0.17 0.00 3.32 0.00 0.00 57.90 62.18 1nvl n TYR 73 Cb 0.24 -1.03 -0.08 0.00 -0.63 0.00 0.00 39.34 37.84 1nvl n TYR 73 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1nvl h ILE 74 N 0.00 0.32 -0.14 2.97 2.04 -0.61 0.32 117.51 122.42 1nvl h ILE 74 Ca 0.45 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.35 1nvl h ILE 74 Cb 0.70 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1nvl h ILE 74 CO -1.02 0.00 0.12 0.44 0.00 0.00 0.00 178.15 177.69 1nvl h ASP 75 N -0.82 0.00 0.18 1.72 3.32 -0.04 0.41 116.42 121.20 1nvl h ASP 75 Ca -0.06 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1nvl h ASP 75 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1nvl h ASP 75 CO 0.06 0.00 -0.09 0.50 -1.72 0.00 0.00 179.24 177.99 1nvl h LYS 76 N 0.00 -0.24 -0.07 3.56 1.63 0.95 0.83 116.57 123.24 1nvl h LYS 76 Ca 0.07 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.91 1nvl h LYS 76 Cb 0.31 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.94 1nvl h LYS 76 CO -0.00 0.11 -0.54 0.28 -3.45 0.00 0.00 179.45 175.85 1nvl h VAL 77 N -0.96 0.00 -1.01 2.00 2.07 0.13 0.47 116.25 118.95 1nvl h VAL 77 Ca -0.03 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.73 1nvl h VAL 77 Cb 0.46 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.11 1nvl h VAL 77 CO 0.04 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 177.91 1nvl h GLU 78 N -0.63 0.58 0.03 1.57 5.08 -0.27 0.19 114.58 121.13 1nvl h GLU 78 Ca 0.02 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.07 1nvl h GLU 78 Cb 0.70 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.84 1nvl h GLU 78 CO -0.40 0.38 -1.09 1.05 -1.00 0.00 0.00 179.01 177.96 1nvl h GLU 79 N 0.60 0.68 -0.36 2.33 4.11 0.55 -2.93 114.58 119.56 1nvl h GLU 79 Ca 0.62 -0.78 0.08 0.00 0.07 0.00 0.00 59.36 59.35 1nvl h GLU 79 Cb 1.19 0.23 -0.08 0.00 0.50 0.00 0.00 28.75 30.58 1nvl h GLU 79 CO -0.42 1.34 -0.22 -0.07 0.07 0.00 0.00 179.01 179.71 1nvl h LEU 80 N 0.36 -0.73 -0.67 3.06 3.38 0.18 0.24 115.31 121.13 1nvl h LEU 80 Ca -0.14 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1nvl h LEU 80 Cb 1.74 0.38 -0.10 0.00 0.09 0.00 0.00 40.66 42.77 1nvl h LEU 80 CO 0.21 -0.25 -0.54 0.50 0.09 0.00 0.00 178.44 178.45 1nvl h LYS 81 N -0.16 -0.21 -0.53 1.13 3.64 -0.70 0.11 116.57 119.85 1nvl h LYS 81 Ca 0.18 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.68 1nvl h LYS 81 Cb 0.44 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.21 1nvl h LYS 81 CO -0.46 -0.14 -0.15 0.87 -2.27 0.00 0.00 179.45 177.29 1nvl h LYS 82 N -0.22 -0.02 -0.45 1.90 1.57 -0.48 0.82 116.57 119.69 1nvl h LYS 82 Ca 0.13 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 1nvl h LYS 82 Cb 0.53 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 1nvl h LYS 82 CO -0.75 -0.02 0.14 0.87 -0.57 0.00 0.00 179.45 179.12 1nvl h LYS 83 N -0.03 0.29 0.00 3.15 1.57 0.10 -3.38 116.57 118.28 1nvl h LYS 83 Ca 0.25 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1nvl h LYS 83 Cb 0.41 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1nvl h LYS 83 CO -0.56 0.19 0.00 0.66 -0.57 0.00 0.00 179.45 179.17 1nvl n TYR 84 N -5.04 0.00 0.00 -1.35 4.01 0.20 -5.09 117.16 109.88 1nvl n TYR 84 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1nvl n TYR 84 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1nvl n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nvl n GLY 85 N 2.76 1.86 0.00 2.72 0.00 0.28 -5.03 105.19 107.78 1nvl n GLY 85 Ca 0.00 -0.50 0.16 0.00 0.00 0.00 0.00 46.02 45.68 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83