#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vlq s GLU 2 N 0.00 0.63 0.59 0.03 2.12 -1.26 -5.16 118.70 115.65 2vlq s GLU 2 Ca 0.00 1.13 -0.17 0.00 0.36 0.00 0.00 54.97 56.30 2vlq s GLU 2 Cb 0.00 0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.55 2vlq s GLU 2 CO 0.00 -0.14 1.07 -0.51 -0.54 0.00 0.00 175.26 175.14 2vlq s LEU 3 N 1.70 3.55 0.11 2.70 1.43 -1.26 -4.94 118.68 121.97 2vlq s LEU 3 Ca -0.09 1.91 -0.36 0.00 -1.03 0.00 0.00 54.13 54.56 2vlq s LEU 3 Cb -0.05 -4.55 -0.16 0.00 0.03 0.00 0.00 46.19 41.46 2vlq s LEU 3 CO -0.19 -1.22 1.37 1.17 0.23 0.00 0.00 176.35 177.72 2vlq n LYS 4 N -1.89 1.35 -2.41 1.70 4.81 -1.26 -4.96 118.16 115.49 2vlq n LYS 4 Ca 0.09 0.48 -0.40 0.00 -0.87 0.00 0.00 58.31 57.61 2vlq n LYS 4 Cb 0.52 -2.14 -0.04 0.00 0.02 0.00 0.00 35.03 33.40 2vlq n LYS 4 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2vlq s HIS 5 N 0.50 3.49 -0.13 5.64 3.76 -1.26 -5.06 115.29 122.23 2vlq s HIS 5 Ca 0.82 1.63 -0.00 0.00 -0.15 0.00 0.00 55.06 57.36 2vlq s HIS 5 Cb -0.89 -3.35 -0.02 0.00 1.11 0.00 0.00 32.58 29.43 2vlq s HIS 5 CO 0.46 -0.80 -0.13 0.45 -0.85 0.00 0.00 174.74 173.87 2vlq s SER 6 N -0.73 4.05 0.50 1.40 0.15 -1.26 -3.76 113.70 114.05 2vlq s SER 6 Ca 0.46 -0.31 0.29 0.00 0.70 0.00 0.00 55.95 57.09 2vlq s SER 6 Cb -0.33 -1.60 1.15 0.00 -1.71 0.00 0.00 66.02 63.52 2vlq s SER 6 CO 0.42 0.17 1.91 -0.29 1.20 0.00 0.00 173.24 176.65 2vlq h ILE 7 N 5.37 0.23 -0.03 6.45 2.10 -1.90 -1.97 117.51 127.75 2vlq h ILE 7 Ca -0.26 -0.77 0.00 0.00 1.08 0.00 0.00 64.86 64.91 2vlq h ILE 7 Cb 1.21 1.63 0.00 0.00 -1.09 0.00 0.00 36.82 38.57 2vlq h ILE 7 CO 0.56 0.09 0.00 -1.54 -1.08 0.00 0.00 178.15 176.18 2vlq n SER 8 N -3.22 0.40 -0.08 2.19 3.41 -1.26 -1.24 113.62 113.82 2vlq n SER 8 Ca 0.01 -1.35 0.14 0.00 -0.26 0.00 0.00 58.87 57.40 2vlq n SER 8 Cb 0.36 -0.02 0.58 0.00 -0.26 0.00 0.00 64.21 64.88 2vlq n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2vlq n ASP 9 N -0.58 0.39 -4.50 4.04 10.43 -0.74 -3.91 116.55 121.68 2vlq n ASP 9 Ca 0.18 -0.38 -0.33 0.00 2.57 0.00 0.00 54.79 56.83 2vlq n ASP 9 Cb 0.15 -0.11 -0.13 0.00 1.84 0.00 0.00 41.12 42.87 2vlq n ASP 9 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 2vlq s TYR 10 N -2.60 2.78 0.80 1.24 1.51 -0.38 -4.90 117.35 115.81 2vlq s TYR 10 Ca 0.25 -0.15 -0.11 0.00 -1.01 0.00 0.00 57.07 56.05 2vlq s TYR 10 Cb 0.20 -1.68 0.07 0.00 -0.11 0.00 0.00 41.96 40.45 2vlq s TYR 10 CO 0.50 0.19 1.09 0.95 -1.11 0.00 0.00 175.55 177.17 2vlq s THR 11 N -0.64 3.15 0.25 -0.71 -4.23 -1.26 -0.48 115.64 111.71 2vlq s THR 11 Ca 0.09 0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 60.91 2vlq s THR 11 Cb -0.11 -3.01 0.25 0.00 1.34 0.00 0.00 72.50 70.97 2vlq s THR 11 CO 0.01 -0.49 1.92 -0.08 -0.54 0.00 0.00 174.62 175.45 2vlq h GLU 12 N -1.16 1.29 -0.26 3.99 4.81 -1.92 -0.12 114.58 121.21 2vlq h GLU 12 Ca -0.47 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 58.70 2vlq h GLU 12 Cb 1.26 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 2vlq h GLU 12 CO 0.56 0.86 0.14 0.00 -0.73 0.00 0.00 179.01 179.84 2vlq h ALA 13 N 1.36 0.32 -0.68 2.92 0.00 -1.94 0.18 119.26 121.41 2vlq h ALA 13 Ca 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2vlq h ALA 13 Cb -0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2vlq h ALA 13 CO -0.08 -0.24 0.40 0.93 0.00 0.00 0.00 179.25 180.26 2vlq h GLU 14 N 0.30 0.93 -0.64 0.00 5.08 -1.81 -0.37 114.58 118.07 2vlq h GLU 14 Ca 0.10 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2vlq h GLU 14 Cb 0.01 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2vlq h GLU 14 CO -0.05 0.67 0.07 0.35 -1.00 0.00 0.00 179.01 179.04 2vlq h PHE 15 N 0.93 1.15 -0.93 4.33 3.57 -0.46 -1.49 116.94 124.04 2vlq h PHE 15 Ca 0.24 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2vlq h PHE 15 Cb -0.01 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.37 2vlq h PHE 15 CO -0.01 0.98 0.55 1.25 -2.23 0.00 0.00 178.31 178.86 2vlq h LEU 16 N 1.00 1.12 -0.91 0.59 5.85 -0.29 0.49 115.31 123.15 2vlq h LEU 16 Ca 0.19 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2vlq h LEU 16 Cb 0.48 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2vlq h LEU 16 CO 0.02 0.86 0.51 1.56 -0.34 0.00 0.00 178.44 181.05 2vlq h GLN 17 N 1.28 1.26 -0.25 1.25 1.08 -0.57 -0.14 115.11 119.02 2vlq h GLN 17 Ca 0.33 -0.14 -0.05 0.00 -1.45 0.00 0.00 58.65 57.35 2vlq h GLN 17 Cb -0.05 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.12 2vlq h GLN 17 CO -0.06 0.90 -0.03 1.25 -0.95 0.00 0.00 178.83 179.94 2vlq h LEU 18 N 1.26 0.45 -1.01 1.46 5.85 -0.64 0.15 115.31 122.83 2vlq h LEU 18 Ca 0.32 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2vlq h LEU 18 Cb 0.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2vlq h LEU 18 CO -0.05 0.68 0.09 0.58 -0.34 0.00 0.00 178.44 179.40 2vlq h VAL 19 N 0.21 1.23 -0.48 1.05 2.07 -0.64 -1.66 116.25 118.02 2vlq h VAL 19 Ca 0.07 -0.86 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 2vlq h VAL 19 Cb 0.47 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2vlq h VAL 19 CO 0.02 0.31 -0.09 0.74 0.02 0.00 0.00 177.57 178.57 2vlq h THR 20 N 0.77 1.26 -0.62 2.57 2.02 -0.71 -0.58 112.91 117.62 2vlq h THR 20 Ca 0.17 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.16 2vlq h THR 20 Cb 0.33 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 2vlq h THR 20 CO 0.00 0.41 0.40 0.74 0.37 0.00 0.00 175.52 177.45 2vlq h THR 21 N 0.78 1.17 -0.16 3.16 2.02 -0.23 -0.35 112.91 119.30 2vlq h THR 21 Ca 0.13 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2vlq h THR 21 Cb 0.60 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2vlq h THR 21 CO 0.04 0.16 0.06 0.40 0.37 0.00 0.00 175.52 176.55 2vlq h ILE 22 N 0.84 1.17 -0.24 3.11 2.04 -0.88 -0.68 117.51 122.87 2vlq h ILE 22 Ca 0.23 -0.52 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 2vlq h ILE 22 Cb -0.08 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2vlq h ILE 22 CO -0.05 0.16 -0.12 0.00 0.00 0.00 0.00 178.15 178.15 2vlq n ASN 24 N -4.24 0.37 -3.88 0.00 3.02 -0.17 -4.94 115.26 105.43 2vlq n ASN 24 Ca 0.00 -0.09 -0.27 0.00 -0.03 0.00 0.00 54.58 54.19 2vlq n ASN 24 Cb 0.29 -0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.45 2vlq n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vlq n ALA 25 N -1.39 -1.65 -1.62 5.41 0.00 -0.48 -4.86 120.51 115.93 2vlq n ALA 25 Ca 0.07 -0.02 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 2vlq n ALA 25 Cb 0.33 -3.05 -0.04 0.00 0.00 0.00 0.00 19.45 16.70 2vlq n ALA 25 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2vlq n ASP 26 N -2.92 7.66 -4.60 0.00 8.00 -0.36 -4.88 116.55 119.45 2vlq n ASP 26 Ca -0.13 -2.93 -0.26 0.00 0.71 0.00 0.00 54.79 52.18 2vlq n ASP 26 Cb 0.60 -1.40 -0.10 0.00 -0.02 0.00 0.00 41.12 40.21 2vlq n ASP 26 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2vlq s THR 27 N -0.25 2.28 0.04 -3.53 -4.23 -1.26 -4.97 115.64 103.72 2vlq s THR 27 Ca 0.60 -2.06 0.20 0.00 -1.18 0.00 0.00 61.69 59.25 2vlq s THR 27 Cb 0.23 -2.80 0.15 0.00 1.34 0.00 0.00 72.50 71.43 2vlq s THR 27 CO -0.10 -0.14 1.68 0.77 -0.54 0.00 0.00 174.62 176.29 2vlq h SER 28 N 1.86 0.00 -5.05 3.99 4.64 -1.96 -3.48 113.55 113.55 2vlq h SER 28 Ca -0.43 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 2vlq h SER 28 Cb 1.25 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.25 2vlq h SER 28 CO 0.72 0.35 0.12 -0.94 -0.87 0.00 0.00 176.83 176.22 2vlq s SER 29 N -6.35 -0.32 0.23 4.97 1.04 -1.26 -5.03 113.70 106.98 2vlq s SER 29 Ca 0.02 -0.45 -0.05 0.00 0.48 0.00 0.00 55.95 55.95 2vlq s SER 29 Cb 0.10 0.63 0.23 0.00 0.10 0.00 0.00 66.02 67.08 2vlq s SER 29 CO 0.69 -1.14 1.72 -0.08 0.98 0.00 0.00 173.24 175.41 2vlq h GLU 30 N 2.10 0.93 -0.64 4.02 4.81 -1.99 -2.27 114.58 121.53 2vlq h GLU 30 Ca -0.27 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 58.73 2vlq h GLU 30 Cb 1.27 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 2vlq h GLU 30 CO 0.33 0.90 0.41 1.49 -0.73 0.00 0.00 179.01 181.41 2vlq h GLU 31 N 0.87 0.80 -0.62 1.92 4.81 -1.99 -0.64 114.58 119.73 2vlq h GLU 31 Ca 0.17 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2vlq h GLU 31 Cb 0.46 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2vlq h GLU 31 CO 0.02 0.53 0.14 1.49 -0.73 0.00 0.00 179.01 180.46 2vlq h GLU 32 N 0.83 0.97 -0.27 1.92 4.81 -1.91 -1.56 114.58 119.37 2vlq h GLU 32 Ca 0.25 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2vlq h GLU 32 Cb -0.04 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2vlq h GLU 32 CO -0.08 0.87 0.06 1.25 -0.73 0.00 0.00 179.01 180.38 2vlq h LEU 33 N 0.92 0.41 -1.09 1.64 5.85 -0.77 -1.94 115.31 120.34 2vlq h LEU 33 Ca 0.20 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 2vlq h LEU 33 Cb 0.34 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2vlq h LEU 33 CO 0.00 0.54 -0.21 0.58 -0.34 0.00 0.00 178.44 179.01 2vlq h VAL 34 N 0.27 1.24 -0.83 1.05 2.07 -0.91 -0.35 116.25 118.79 2vlq h VAL 34 Ca 0.08 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2vlq h VAL 34 Cb 0.29 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 2vlq h VAL 34 CO 0.00 0.36 0.52 0.50 0.02 0.00 0.00 177.57 178.97 2vlq h LYS 35 N 0.35 1.11 -0.37 1.57 1.63 -1.11 0.26 116.57 120.01 2vlq h LYS 35 Ca 0.06 -0.09 -0.15 0.00 -0.85 0.00 0.00 60.65 59.62 2vlq h LYS 35 Cb 0.57 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 2vlq h LYS 35 CO 0.04 0.76 -0.35 -0.07 -3.45 0.00 0.00 179.45 176.38 2vlq h LEU 36 N 1.13 0.94 -0.62 5.20 3.38 -0.58 -1.04 115.31 123.73 2vlq h LEU 36 Ca 0.30 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2vlq h LEU 36 Cb -0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 2vlq h LEU 36 CO -0.06 1.21 0.37 0.58 0.09 0.00 0.00 178.44 180.63 2vlq h VAL 37 N 0.69 1.18 -0.38 1.22 2.07 -0.68 0.11 116.25 120.47 2vlq h VAL 37 Ca 0.06 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.22 2vlq h VAL 37 Cb 0.94 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2vlq h VAL 37 CO 0.09 0.19 0.17 0.74 0.02 0.00 0.00 177.57 178.77 2vlq h THR 38 N 0.84 0.94 -0.64 2.57 2.02 -0.73 -0.15 112.91 117.76 2vlq h THR 38 Ca 0.22 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 2vlq h THR 38 Cb -0.02 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 2vlq h THR 38 CO -0.04 0.06 0.37 0.45 0.37 0.00 0.00 175.52 176.73 2vlq h HIS 39 N 0.35 0.85 -0.31 3.16 -0.00 -0.85 -1.01 115.15 117.35 2vlq h HIS 39 Ca 0.16 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.57 2vlq h HIS 39 Cb 0.10 -0.28 -0.04 0.00 -0.00 0.00 0.00 27.41 27.19 2vlq h HIS 39 CO -0.12 0.59 0.04 0.35 -0.00 0.00 0.00 177.93 178.79 2vlq h PHE 40 N 0.86 0.05 -0.67 2.45 3.04 -0.25 -0.35 116.94 122.09 2vlq h PHE 40 Ca 0.23 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.22 2vlq h PHE 40 Cb -0.00 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.49 2vlq h PHE 40 CO -0.01 -0.01 0.42 0.93 -2.02 0.00 0.00 178.31 177.62 2vlq h GLU 41 N 0.14 0.81 -0.83 1.11 5.08 -0.53 -0.76 114.58 119.60 2vlq h GLU 41 Ca 0.15 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2vlq h GLU 41 Cb 0.17 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2vlq h GLU 41 CO -0.21 0.54 0.51 0.93 -1.00 0.00 0.00 179.01 179.78 2vlq h GLU 42 N 0.83 1.12 -0.17 2.33 5.08 -0.63 -2.18 114.58 120.97 2vlq h GLU 42 Ca 0.26 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2vlq h GLU 42 Cb -0.01 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 2vlq h GLU 42 CO -0.09 0.77 -0.19 0.52 -1.00 0.00 0.00 179.01 179.02 2vlq h MET 43 N 1.14 0.42 -0.09 2.33 2.86 -0.45 -3.27 114.93 117.88 2vlq h MET 43 Ca 0.30 -0.23 -0.11 0.00 -2.06 0.00 0.00 59.70 57.60 2vlq h MET 43 Cb -0.07 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2vlq h MET 43 CO -0.06 0.81 -0.43 1.79 1.06 0.00 0.00 176.91 180.08 2vlq h THR 44 N 0.07 1.32 -0.78 2.22 1.35 -1.07 -3.37 112.91 112.64 2vlq h THR 44 Ca 0.02 -1.55 -0.33 0.00 -0.55 0.00 0.00 66.41 64.00 2vlq h THR 44 Cb 0.74 1.72 -0.13 0.00 -1.73 0.00 0.00 68.15 68.75 2vlq h THR 44 CO 0.05 0.46 -0.30 -0.62 -0.25 0.00 0.00 175.52 174.85 2vlq n GLU 45 N -4.01 -1.51 -2.93 4.72 1.02 -0.83 -4.92 120.64 112.18 2vlq n GLU 45 Ca -0.02 1.07 -0.40 0.00 -0.02 0.00 0.00 57.16 57.79 2vlq n GLU 45 Cb 0.49 -5.45 -0.05 0.00 -0.02 0.00 0.00 31.44 26.41 2vlq n GLU 45 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2vlq s HIS 46 N -2.42 3.70 0.57 -0.32 2.46 -1.26 -4.93 115.29 113.09 2vlq s HIS 46 Ca 0.00 1.49 0.40 0.00 0.47 0.00 0.00 55.06 57.42 2vlq s HIS 46 Cb 0.00 -2.88 2.14 0.00 -0.13 0.00 0.00 32.58 31.71 2vlq s HIS 46 CO 0.00 0.18 2.29 -1.00 -2.47 0.00 0.00 174.74 173.74 2vlq h PRO 47 N 6.07 0.00 0.00 2.88 0.13 -1.96 -1.52 132.00 137.60 2vlq h PRO 47 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2vlq h PRO 47 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2vlq h PRO 47 CO 0.73 0.01 0.00 0.43 -0.23 0.00 0.00 178.00 178.94 2vlq n SER 48 N -3.25 0.08 0.00 1.44 7.64 -1.26 -4.97 113.62 113.31 2vlq n SER 48 Ca -0.02 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2vlq n SER 48 Cb 0.11 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2vlq n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vlq n GLY 49 N 1.18 2.86 0.05 0.23 0.00 -0.57 -1.19 105.19 107.75 2vlq n GLY 49 Ca 0.06 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.81 2vlq n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vlq n SER 50 N 1.04 0.19 0.24 1.61 3.41 -1.26 -2.36 113.62 116.49 2vlq n SER 50 Ca 0.00 0.57 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 2vlq n SER 50 Cb 0.00 -0.60 0.59 0.00 -0.26 0.00 0.00 64.21 63.93 2vlq n SER 50 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2vlq h ASP 51 N 0.00 0.00 -0.77 4.04 3.45 -1.48 -0.27 116.42 121.39 2vlq h ASP 51 Ca 0.00 0.00 0.18 0.00 0.43 0.00 0.00 57.03 57.64 2vlq h ASP 51 Cb 0.10 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.82 2vlq h ASP 51 CO 0.00 0.12 0.52 -0.07 -1.57 0.00 0.00 179.24 178.25 2vlq h LEU 52 N 0.00 0.25 0.11 1.55 3.38 -1.62 0.10 115.31 119.07 2vlq h LEU 52 Ca -0.00 0.02 -0.34 0.00 0.09 0.00 0.00 57.88 57.65 2vlq h LEU 52 Cb 0.23 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2vlq h LEU 52 CO 0.02 0.11 -1.85 0.40 0.09 0.00 0.00 178.44 177.21 2vlq h ILE 53 N 0.25 0.70 0.00 1.22 2.04 -1.32 -3.41 117.51 116.99 2vlq h ILE 53 Ca 0.38 -2.32 -0.08 0.00 1.00 0.00 0.00 64.86 63.83 2vlq h ILE 53 Cb 1.11 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.65 2vlq h ILE 53 CO -0.09 0.80 -1.80 -1.22 0.00 0.00 0.00 178.15 175.84 2vlq n TYR 54 N -3.66 0.00 -3.19 1.37 4.01 -0.65 -4.78 117.16 110.27 2vlq n TYR 54 Ca -0.31 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.22 2vlq n TYR 54 Cb 0.99 -0.47 -0.05 0.00 -0.31 0.00 0.00 39.34 39.50 2vlq n TYR 54 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2vlq n TYR 55 N -2.20 0.15 -2.06 -0.72 4.02 0.34 -5.04 117.16 111.66 2vlq n TYR 55 Ca -0.09 -3.73 -0.35 0.00 -0.01 0.00 0.00 57.90 53.72 2vlq n TYR 55 Cb 0.59 -0.40 0.02 0.00 -0.02 0.00 0.00 39.34 39.53 2vlq n TYR 55 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2vlq s PRO 56 N -1.97 3.10 0.53 -0.72 0.04 -1.10 -4.61 135.00 130.27 2vlq s PRO 56 Ca 0.38 1.60 -0.21 0.00 0.04 0.00 0.00 61.00 62.81 2vlq s PRO 56 Cb 0.27 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.79 2vlq s PRO 56 CO -0.09 -1.05 1.25 0.15 0.04 0.00 0.00 177.00 177.30 2vlq s LYS 57 N -3.52 3.28 0.13 4.56 3.01 -1.26 -4.92 119.74 121.03 2vlq s LYS 57 Ca 0.72 1.98 -0.35 0.00 -1.01 0.00 0.00 55.97 57.31 2vlq s LYS 57 Cb -0.24 -2.21 -0.15 0.00 -1.01 0.00 0.00 37.83 34.21 2vlq s LYS 57 CO 0.32 -1.00 1.40 0.39 0.51 0.00 0.00 175.35 176.97 2vlq n GLU 58 N -1.02 1.54 0.00 1.68 4.71 -1.26 -1.06 120.64 125.23 2vlq n GLU 58 Ca 0.10 0.55 0.00 0.00 -0.01 0.00 0.00 57.16 57.81 2vlq n GLU 58 Cb 0.47 -2.22 0.00 0.00 -1.01 0.00 0.00 31.44 28.68 2vlq n GLU 58 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2vlq n GLY 59 N 2.70 2.09 3.83 0.62 0.00 -1.26 -5.05 105.19 108.13 2vlq n GLY 59 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2vlq n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vlq s ASP 60 N -2.03 6.90 -0.38 1.61 -0.00 -0.22 -5.03 116.67 117.52 2vlq s ASP 60 Ca 0.00 1.33 -0.22 0.00 -0.00 0.00 0.00 52.55 53.66 2vlq s ASP 60 Cb 0.00 -2.39 0.01 0.00 -0.00 0.00 0.00 42.92 40.54 2vlq s ASP 60 CO 0.00 -0.10 0.74 -0.62 -0.00 0.00 0.00 175.17 175.20 2vlq s ASP 61 N -1.99 6.48 -0.27 0.27 -1.08 -1.26 -4.89 116.67 113.93 2vlq s ASP 61 Ca 0.49 0.17 0.11 0.00 -0.52 0.00 0.00 52.55 52.80 2vlq s ASP 61 Cb -0.13 -2.37 0.75 0.00 -1.46 0.00 0.00 42.92 39.70 2vlq s ASP 61 CO 0.19 -0.74 1.72 -0.90 0.52 0.00 0.00 175.17 175.96 2vlq n ASP 62 N 6.39 5.11 -4.81 -0.34 3.85 -1.26 -3.18 116.55 122.31 2vlq n ASP 62 Ca 0.02 -3.02 -0.30 0.00 -0.71 0.00 0.00 54.79 50.78 2vlq n ASP 62 Cb 0.48 -0.71 0.07 0.00 -1.35 0.00 0.00 41.12 39.62 2vlq n ASP 62 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2vlq s SER 63 N -0.82 4.86 0.19 -1.12 1.04 -1.26 -4.78 113.70 111.81 2vlq s SER 63 Ca 0.52 1.43 -0.13 0.00 0.48 0.00 0.00 55.95 58.25 2vlq s SER 63 Cb 0.41 -2.22 0.19 0.00 0.10 0.00 0.00 66.02 64.50 2vlq s SER 63 CO 0.14 -1.75 1.71 -0.65 0.98 0.00 0.00 173.24 173.67 2vlq h PRO 64 N -0.93 0.21 -0.35 4.02 0.11 -1.90 0.89 132.00 134.04 2vlq h PRO 64 Ca -0.46 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 2vlq h PRO 64 Cb 1.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2vlq h PRO 64 CO 0.58 0.14 -0.05 0.66 -0.21 0.00 0.00 178.00 179.13 2vlq h SER 65 N 0.22 0.55 -0.44 -2.05 4.64 -1.93 -0.91 113.55 113.63 2vlq h SER 65 Ca 0.25 -0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 2vlq h SER 65 Cb 0.34 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 2vlq h SER 65 CO -0.34 0.65 0.24 1.23 -0.87 0.00 0.00 176.83 177.74 2vlq h GLY 66 N 0.90 0.61 0.94 -0.77 0.00 -1.45 -0.58 103.07 102.71 2vlq h GLY 66 Ca 0.11 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 2vlq h GLY 66 CO 0.02 0.14 -0.14 -2.22 0.00 0.00 0.00 176.54 174.34 2vlq h ILE 67 N 0.48 1.29 -0.75 2.60 2.04 -0.36 -0.23 117.51 122.57 2vlq h ILE 67 Ca 0.18 -1.23 0.04 0.00 1.00 0.00 0.00 64.86 64.84 2vlq h ILE 67 Cb 0.05 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 2vlq h ILE 67 CO -0.11 0.40 0.47 0.58 0.00 0.00 0.00 178.15 179.49 2vlq h VAL 68 N 0.46 1.09 -0.44 1.67 2.07 -1.05 -0.19 116.25 119.87 2vlq h VAL 68 Ca 0.08 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 2vlq h VAL 68 Cb 0.66 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2vlq h VAL 68 CO 0.04 0.17 -0.21 -1.13 0.02 0.00 0.00 177.57 176.46 2vlq h ASN 69 N 0.91 0.89 -0.59 0.57 -0.73 -0.80 0.16 115.58 115.99 2vlq h ASN 69 Ca 0.30 -0.32 -0.00 0.00 1.87 0.00 0.00 56.30 58.15 2vlq h ASN 69 Cb 0.04 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.36 2vlq h ASN 69 CO -0.12 1.07 0.36 0.74 -0.37 0.00 0.00 177.43 179.11 2vlq h THR 70 N 0.76 1.17 -0.45 -3.57 2.02 -0.46 -0.11 112.91 112.28 2vlq h THR 70 Ca 0.10 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 2vlq h THR 70 Cb 0.75 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2vlq h THR 70 CO 0.06 0.18 0.08 0.58 0.37 0.00 0.00 175.52 176.78 2vlq h VAL 71 N 0.79 1.24 -0.26 3.16 2.07 -0.68 -0.84 116.25 121.75 2vlq h VAL 71 Ca 0.21 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2vlq h VAL 71 Cb -0.03 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2vlq h VAL 71 CO -0.04 0.31 0.17 0.50 0.02 0.00 0.00 177.57 178.53 2vlq h LYS 72 N 0.60 0.34 -0.46 1.57 3.64 -0.54 -0.43 116.57 121.30 2vlq h LYS 72 Ca 0.14 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 2vlq h LYS 72 Cb 0.38 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2vlq h LYS 72 CO 0.01 0.23 -0.02 1.96 -2.27 0.00 0.00 179.45 179.36 2vlq h GLN 73 N 0.34 0.83 -0.43 1.90 4.20 -0.92 -1.20 115.11 119.83 2vlq h GLN 73 Ca 0.09 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 2vlq h GLN 73 Cb -0.03 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2vlq h GLN 73 CO -0.02 0.90 0.13 2.35 -0.67 0.00 0.00 178.83 181.52 2vlq h TRP 74 N 0.68 0.70 -0.80 2.96 7.01 -0.85 0.44 115.95 126.08 2vlq h TRP 74 Ca 0.13 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 2vlq h TRP 74 Cb 0.54 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 27.36 2vlq h TRP 74 CO 0.04 0.64 0.43 0.00 -2.79 0.00 0.00 178.44 176.76 2vlq h ARG 75 N 0.55 1.13 -0.45 2.65 3.08 -0.97 -1.79 114.38 118.59 2vlq h ARG 75 Ca 0.14 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.07 2vlq h ARG 75 Cb 0.27 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2vlq h ARG 75 CO -0.00 0.84 0.26 0.00 -1.07 0.00 0.00 179.97 180.00 2vlq h ALA 76 N 1.23 0.56 0.00 0.04 0.00 -0.84 -0.90 119.26 119.36 2vlq h ALA 76 Ca 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2vlq h ALA 76 Cb 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2vlq h ALA 76 CO -0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 179.25 179.06 2vlq h ALA 77 N 1.20 1.08 -0.28 0.00 0.00 -0.52 -3.01 119.26 117.73 2vlq h ALA 77 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2vlq h ALA 77 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2vlq h ALA 77 CO -0.09 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.37 2vlq n ASN 78 N -3.31 3.61 -1.20 0.00 4.13 -0.71 -4.97 115.26 112.81 2vlq n ASN 78 Ca -0.01 -2.72 -0.13 0.00 1.68 0.00 0.00 54.58 53.40 2vlq n ASN 78 Cb 0.29 -0.45 -0.03 0.00 -1.54 0.00 0.00 39.78 38.05 2vlq n ASN 78 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2vlq n GLY 79 N -0.22 0.60 3.98 7.41 0.00 -0.95 -5.00 105.19 111.01 2vlq n GLY 79 Ca 0.18 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 2vlq n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vlq s LYS 80 N -3.85 3.11 0.65 1.61 1.02 -0.39 -5.05 119.74 116.85 2vlq s LYS 80 Ca 0.00 -0.89 -0.17 0.00 0.02 0.00 0.00 55.97 54.94 2vlq s LYS 80 Cb 0.00 -2.76 -0.00 0.00 -0.52 0.00 0.00 37.83 34.55 2vlq s LYS 80 CO 0.00 -0.01 1.18 -1.54 -0.92 0.00 0.00 175.35 174.06 2vlq s SER 81 N -4.18 4.85 0.00 2.83 1.04 -1.26 -4.49 113.70 112.49 2vlq s SER 81 Ca 0.46 2.27 0.00 0.00 0.48 0.00 0.00 55.95 59.15 2vlq s SER 81 Cb -0.10 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2vlq s SER 81 CO 0.33 -1.82 0.00 0.61 0.98 0.00 0.00 173.24 173.34 2vlq n GLY 82 N 0.19 3.33 3.80 7.32 0.00 -1.26 -4.88 105.19 113.69 2vlq n GLY 82 Ca 0.13 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 2vlq n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vlq s PHE 83 N 1.34 2.85 -2.00 1.61 0.40 -1.26 -4.07 117.98 116.85 2vlq s PHE 83 Ca 0.00 1.24 0.14 0.00 -0.60 0.00 0.00 56.93 57.71 2vlq s PHE 83 Cb 0.00 -3.06 0.84 0.00 0.51 0.00 0.00 43.02 41.30 2vlq s PHE 83 CO 0.00 -1.69 1.26 1.17 0.70 0.00 0.00 175.22 176.66