#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vlo h HIS 5 N 0.00 0.09 -3.27 5.58 3.86 -2.01 -3.49 115.15 115.91 2vlo h HIS 5 Ca 0.00 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.11 2vlo h HIS 5 Cb 0.00 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 2vlo h HIS 5 CO 0.00 1.14 0.13 -1.54 0.86 0.00 0.00 177.93 178.52 2vlo s SER 6 N -6.27 0.04 0.49 2.45 1.04 -1.26 -4.98 113.70 105.21 2vlo s SER 6 Ca -0.08 -1.00 0.28 0.00 0.48 0.00 0.00 55.95 55.64 2vlo s SER 6 Cb 0.08 0.74 1.06 0.00 0.10 0.00 0.00 66.02 68.00 2vlo s SER 6 CO 0.82 -1.44 1.87 -0.29 0.98 0.00 0.00 173.24 175.18 2vlo h ILE 7 N 2.06 0.23 0.00 -1.02 2.10 -1.90 -2.01 117.51 116.97 2vlo h ILE 7 Ca -0.27 -0.83 0.00 0.00 1.08 0.00 0.00 64.86 64.84 2vlo h ILE 7 Cb 1.25 1.68 0.00 0.00 -1.09 0.00 0.00 36.82 38.66 2vlo h ILE 7 CO 0.34 0.10 0.00 -1.54 -1.08 0.00 0.00 178.15 175.97 2vlo n SER 8 N -3.21 0.00 -0.03 2.19 3.41 -1.25 -1.19 113.62 113.53 2vlo n SER 8 Ca 0.01 -0.12 0.14 0.00 -0.26 0.00 0.00 58.87 58.63 2vlo n SER 8 Cb 0.39 -0.25 0.52 0.00 -0.26 0.00 0.00 64.21 64.61 2vlo n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2vlo n ASP 9 N -1.25 0.26 -4.74 4.04 10.43 -0.76 -3.69 116.55 120.84 2vlo n ASP 9 Ca 0.12 -0.01 -0.36 0.00 2.57 0.00 0.00 54.79 57.11 2vlo n ASP 9 Cb 0.17 -0.17 -0.08 0.00 1.84 0.00 0.00 41.12 42.88 2vlo n ASP 9 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 2vlo s TYR 10 N -2.84 3.33 0.71 1.24 1.51 -0.33 -4.59 117.35 116.37 2vlo s TYR 10 Ca 0.18 0.28 -0.11 0.00 -1.01 0.00 0.00 57.07 56.40 2vlo s TYR 10 Cb 0.19 -1.91 0.01 0.00 -0.11 0.00 0.00 41.96 40.14 2vlo s TYR 10 CO 0.56 0.48 1.07 0.95 -1.11 0.00 0.00 175.55 177.50 2vlo s THR 11 N -0.63 3.81 0.25 -0.71 -4.23 -1.26 -0.59 115.64 112.28 2vlo s THR 11 Ca 0.11 0.59 -0.06 0.00 -1.18 0.00 0.00 61.69 61.15 2vlo s THR 11 Cb -0.12 -3.44 0.24 0.00 1.34 0.00 0.00 72.50 70.52 2vlo s THR 11 CO 0.02 -0.77 1.91 -0.08 -0.54 0.00 0.00 174.62 175.16 2vlo h GLU 12 N -0.71 1.27 -0.38 3.99 4.81 -1.92 -0.66 114.58 120.98 2vlo h GLU 12 Ca -0.45 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 58.65 2vlo h GLU 12 Cb 1.23 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 2vlo h GLU 12 CO 0.60 0.87 0.13 0.00 -0.73 0.00 0.00 179.01 179.88 2vlo h ALA 13 N 1.35 0.49 -0.81 2.92 0.00 -1.93 0.15 119.26 121.43 2vlo h ALA 13 Ca 0.34 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2vlo h ALA 13 Cb -0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2vlo h ALA 13 CO -0.07 0.12 0.54 0.93 0.00 0.00 0.00 179.25 180.78 2vlo h GLU 14 N 0.46 1.05 -0.36 0.00 5.08 -1.83 -0.33 114.58 118.65 2vlo h GLU 14 Ca 0.12 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 2vlo h GLU 14 Cb 0.24 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2vlo h GLU 14 CO -0.01 0.69 -0.44 0.35 -1.00 0.00 0.00 179.01 178.61 2vlo h PHE 15 N 1.08 1.12 -0.97 4.33 3.57 -0.56 -1.27 116.94 124.24 2vlo h PHE 15 Ca 0.30 -0.36 0.04 0.00 3.53 0.00 0.00 57.97 61.49 2vlo h PHE 15 Cb -0.09 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.36 2vlo h PHE 15 CO -0.00 1.19 0.63 1.25 -2.23 0.00 0.00 178.31 179.15 2vlo h LEU 16 N 0.74 1.04 -0.40 0.59 5.85 -0.64 -0.03 115.31 122.46 2vlo h LEU 16 Ca 0.05 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2vlo h LEU 16 Cb 1.04 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2vlo h LEU 16 CO 0.10 0.70 0.11 1.56 -0.34 0.00 0.00 178.44 180.57 2vlo h GLN 17 N 1.20 0.63 -0.11 1.25 1.08 -0.56 -0.82 115.11 117.78 2vlo h GLN 17 Ca 0.40 -0.14 0.04 0.00 -1.45 0.00 0.00 58.65 57.49 2vlo h GLN 17 Cb 0.05 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.35 2vlo h GLN 17 CO -0.14 0.64 -0.17 1.25 -0.95 0.00 0.00 178.83 179.46 2vlo h LEU 18 N 0.50 -0.52 -0.63 1.46 5.85 -0.85 -0.27 115.31 120.86 2vlo h LEU 18 Ca 0.13 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2vlo h LEU 18 Cb 0.28 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2vlo h LEU 18 CO -0.00 -0.22 0.30 0.58 -0.34 0.00 0.00 178.44 178.76 2vlo h VAL 19 N -0.22 1.22 -0.75 1.05 2.07 -0.92 -1.98 116.25 116.72 2vlo h VAL 19 Ca 0.09 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 2vlo h VAL 19 Cb 0.35 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2vlo h VAL 19 CO -0.24 0.25 0.26 0.74 0.02 0.00 0.00 177.57 178.60 2vlo h THR 20 N 0.86 1.26 -0.15 2.57 2.02 -1.00 0.54 112.91 119.01 2vlo h THR 20 Ca 0.22 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.56 2vlo h THR 20 Cb 0.11 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2vlo h THR 20 CO -0.03 0.35 -0.06 0.74 0.37 0.00 0.00 175.52 176.89 2vlo h THR 21 N 1.11 0.79 -0.10 3.16 2.02 -0.68 -1.55 112.91 117.66 2vlo h THR 21 Ca 0.25 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.43 2vlo h THR 21 Cb 0.27 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2vlo h THR 21 CO -0.01 0.00 0.06 0.40 0.37 0.00 0.00 175.52 176.34 2vlo h ILE 22 N -0.04 1.06 -0.71 3.11 2.04 -0.90 -0.72 117.51 121.35 2vlo h ILE 22 Ca 0.08 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2vlo h ILE 22 Cb 0.16 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2vlo h ILE 22 CO -0.18 0.06 0.41 0.00 0.00 0.00 0.00 178.15 178.43 2vlo n ASN 24 N -4.38 1.09 -3.74 0.00 3.02 -0.60 -4.93 115.26 105.72 2vlo n ASN 24 Ca 0.07 -1.26 -0.22 0.00 -0.03 0.00 0.00 54.58 53.14 2vlo n ASN 24 Cb 0.08 0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.29 2vlo n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vlo n ALA 25 N -0.23 -1.96 -1.49 5.41 0.00 -0.49 -4.86 120.51 116.90 2vlo n ALA 25 Ca 0.19 -0.15 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 2vlo n ALA 25 Cb 0.30 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 2vlo n ALA 25 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2vlo n ASP 26 N -3.03 8.60 -4.29 0.00 8.00 -0.35 -4.86 116.55 120.62 2vlo n ASP 26 Ca -0.28 -2.72 -0.16 0.00 0.71 0.00 0.00 54.79 52.35 2vlo n ASP 26 Cb 0.67 -1.51 -0.10 0.00 -0.02 0.00 0.00 41.12 40.16 2vlo n ASP 26 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2vlo s THR 27 N 1.31 1.13 -1.63 -3.53 -4.23 -1.26 -4.97 115.64 102.45 2vlo s THR 27 Ca 0.66 -2.05 0.26 0.00 -1.18 0.00 0.00 61.69 59.38 2vlo s THR 27 Cb 0.18 -2.08 0.24 0.00 1.34 0.00 0.00 72.50 72.18 2vlo s THR 27 CO -0.07 -0.55 1.57 -1.54 -0.54 0.00 0.00 174.62 173.49 2vlo n SER 28 N -0.31 0.90 -3.57 3.99 3.41 -1.26 -4.94 113.62 111.84 2vlo n SER 28 Ca -0.08 -0.77 -0.11 0.00 -0.26 0.00 0.00 58.87 57.66 2vlo n SER 28 Cb 0.62 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.66 2vlo n SER 28 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2vlo s SER 29 N -2.57 -0.33 0.19 4.04 1.04 -1.26 -5.03 113.70 109.77 2vlo s SER 29 Ca 0.23 -0.22 -0.13 0.00 0.48 0.00 0.00 55.95 56.31 2vlo s SER 29 Cb 0.19 0.51 0.10 0.00 0.10 0.00 0.00 66.02 66.92 2vlo s SER 29 CO 0.54 -0.88 1.84 -0.08 0.98 0.00 0.00 173.24 175.64 2vlo h GLU 30 N 2.28 0.82 -0.75 4.02 4.81 -2.00 -2.71 114.58 121.05 2vlo h GLU 30 Ca -0.34 -0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.00 2vlo h GLU 30 Cb 1.27 -0.18 -0.13 0.00 0.63 0.00 0.00 28.75 30.34 2vlo h GLU 30 CO 0.44 0.56 0.00 1.49 -0.73 0.00 0.00 179.01 180.77 2vlo h GLU 31 N 0.83 0.10 -0.48 1.92 4.81 -1.99 0.31 114.58 120.08 2vlo h GLU 31 Ca 0.22 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2vlo h GLU 31 Cb -0.07 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2vlo h GLU 31 CO -0.05 0.06 0.02 1.49 -0.73 0.00 0.00 179.01 179.81 2vlo h GLU 32 N 0.10 0.84 -0.50 1.92 4.81 -1.92 0.03 114.58 119.86 2vlo h GLU 32 Ca 0.41 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2vlo h GLU 32 Cb 0.72 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2vlo h GLU 32 CO -0.66 0.87 0.15 1.25 -0.73 0.00 0.00 179.01 179.88 2vlo h LEU 33 N 0.70 0.74 -0.39 1.64 5.85 -1.01 -1.22 115.31 121.61 2vlo h LEU 33 Ca 0.14 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2vlo h LEU 33 Cb 0.47 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2vlo h LEU 33 CO 0.02 0.75 0.21 0.58 -0.34 0.00 0.00 178.44 179.67 2vlo h VAL 34 N 0.68 1.15 -0.77 1.05 2.07 -0.79 -0.62 116.25 119.03 2vlo h VAL 34 Ca 0.16 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.35 2vlo h VAL 34 Cb 0.28 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2vlo h VAL 34 CO -0.00 0.16 0.51 0.11 0.02 0.00 0.00 177.57 178.36 2vlo h LYS 35 N 0.50 0.83 -0.06 1.57 1.57 -0.65 -1.79 116.57 118.54 2vlo h LYS 35 Ca 0.14 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.68 2vlo h LYS 35 Cb 0.06 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 2vlo h LYS 35 CO -0.02 0.55 -0.76 -0.07 -0.57 0.00 0.00 179.45 178.58 2vlo h LEU 36 N 0.86 0.47 -0.25 2.94 3.38 -0.73 -1.47 115.31 120.50 2vlo h LEU 36 Ca 0.33 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2vlo h LEU 36 Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2vlo h LEU 36 CO -0.11 1.06 0.09 0.58 0.09 0.00 0.00 178.44 180.16 2vlo h VAL 37 N 0.26 1.18 -0.85 1.22 2.07 -0.80 0.19 116.25 119.52 2vlo h VAL 37 Ca -0.04 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 66.96 2vlo h VAL 37 Cb 1.34 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 2vlo h VAL 37 CO 0.13 0.18 0.55 0.74 0.02 0.00 0.00 177.57 179.19 2vlo h THR 38 N 0.25 1.14 -0.22 2.57 2.02 -1.22 -0.46 112.91 117.00 2vlo h THR 38 Ca 0.08 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2vlo h THR 38 Cb 0.20 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 2vlo h THR 38 CO -0.01 0.19 0.08 -0.74 0.37 0.00 0.00 175.52 175.42 2vlo h HIS 39 N 1.06 0.34 -0.48 3.16 6.17 -1.03 -1.58 115.15 122.79 2vlo h HIS 39 Ca 0.34 -0.03 0.09 0.00 0.71 0.00 0.00 60.37 61.48 2vlo h HIS 39 Cb -0.00 -0.10 -0.08 0.00 2.52 0.00 0.00 27.41 29.75 2vlo h HIS 39 CO -0.02 0.39 -0.00 0.35 0.71 0.00 0.00 177.93 179.35 2vlo h PHE 40 N 0.19 -0.04 -0.71 5.26 3.04 0.29 0.11 116.94 125.08 2vlo h PHE 40 Ca 0.07 0.04 0.07 0.00 3.98 0.00 0.00 57.97 62.13 2vlo h PHE 40 Cb 0.20 0.09 -0.06 0.00 2.56 0.00 0.00 35.95 38.74 2vlo h PHE 40 CO -0.01 -0.11 0.40 0.93 -2.02 0.00 0.00 178.31 177.50 2vlo h GLU 41 N 0.11 0.69 -0.52 1.11 5.08 -0.74 -0.78 114.58 119.53 2vlo h GLU 41 Ca 0.24 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 2vlo h GLU 41 Cb 0.36 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2vlo h GLU 41 CO -0.40 0.46 0.01 0.93 -1.00 0.00 0.00 179.01 179.00 2vlo h GLU 42 N 0.71 0.88 0.09 2.33 5.08 -0.57 -1.55 114.58 121.55 2vlo h GLU 42 Ca 0.33 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2vlo h GLU 42 Cb 0.24 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2vlo h GLU 42 CO -0.20 0.87 -0.04 0.52 -1.00 0.00 0.00 179.01 179.15 2vlo h MET 43 N 0.82 -0.12 -0.05 2.33 2.86 -0.57 -3.32 114.93 116.89 2vlo h MET 43 Ca 0.16 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.71 2vlo h MET 43 Cb 0.48 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2vlo h MET 43 CO 0.02 0.23 -0.41 1.79 1.06 0.00 0.00 176.91 179.60 2vlo h THR 44 N -0.49 1.30 -0.60 2.22 1.35 -1.11 -3.37 112.91 112.23 2vlo h THR 44 Ca -0.01 -1.47 -0.25 0.00 -0.55 0.00 0.00 66.41 64.13 2vlo h THR 44 Cb 0.41 1.73 -0.10 0.00 -1.73 0.00 0.00 68.15 68.46 2vlo h THR 44 CO 0.02 0.43 -0.23 -0.62 -0.25 0.00 0.00 175.52 174.87 2vlo n GLU 45 N -4.04 -1.68 -2.41 4.72 1.02 -0.59 -4.92 120.64 112.74 2vlo n GLU 45 Ca -0.02 0.92 -0.41 0.00 -0.02 0.00 0.00 57.16 57.63 2vlo n GLU 45 Cb 0.46 -5.34 -0.04 0.00 -0.02 0.00 0.00 31.44 26.50 2vlo n GLU 45 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2vlo s HIS 46 N -2.02 3.47 0.43 -0.32 2.46 -1.26 -4.94 115.29 113.11 2vlo s HIS 46 Ca 0.00 1.52 0.35 0.00 0.47 0.00 0.00 55.06 57.40 2vlo s HIS 46 Cb 0.00 -3.38 1.79 0.00 -0.13 0.00 0.00 32.58 30.86 2vlo s HIS 46 CO 0.00 -0.99 2.16 -1.35 -2.47 0.00 0.00 174.74 172.10 2vlo h PRO 47 N 4.79 0.00 0.00 2.88 0.11 -1.96 -2.37 132.00 135.45 2vlo h PRO 47 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2vlo h PRO 47 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2vlo h PRO 47 CO 0.72 0.04 0.00 0.43 -0.21 0.00 0.00 178.00 178.98 2vlo n SER 48 N -3.31 0.00 0.00 -2.05 7.64 -1.26 -4.98 113.62 109.66 2vlo n SER 48 Ca -0.02 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2vlo n SER 48 Cb 0.19 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2vlo n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vlo n GLY 49 N 1.18 2.57 0.24 0.23 0.00 -0.90 -1.12 105.19 107.40 2vlo n GLY 49 Ca 0.07 -0.08 0.16 0.00 0.00 0.00 0.00 46.02 46.17 2vlo n GLY 49 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2vlo h SER 50 N 0.59 0.00 -0.08 1.61 4.64 -1.92 -2.45 113.55 115.95 2vlo h SER 50 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2vlo h SER 50 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2vlo h SER 50 CO 0.00 0.00 0.07 0.44 -0.87 0.00 0.00 176.83 176.47 2vlo h ASP 51 N 0.00 0.00 -0.93 4.97 3.45 -1.45 -0.55 116.42 121.91 2vlo h ASP 51 Ca 0.00 0.00 0.17 0.00 0.43 0.00 0.00 57.03 57.63 2vlo h ASP 51 Cb 0.02 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 38.71 2vlo h ASP 51 CO 0.00 0.00 0.60 -0.07 -1.57 0.00 0.00 179.24 178.20 2vlo h LEU 52 N 0.00 0.62 0.08 1.55 3.38 -1.59 0.93 115.31 120.29 2vlo h LEU 52 Ca 0.04 0.06 -0.31 0.00 0.09 0.00 0.00 57.88 57.76 2vlo h LEU 52 Cb 0.18 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2vlo h LEU 52 CO -0.00 0.27 -1.65 0.40 0.09 0.00 0.00 178.44 177.55 2vlo h ILE 53 N 0.63 0.79 0.00 1.22 2.04 -1.35 -3.41 117.51 117.42 2vlo h ILE 53 Ca 0.49 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 64.06 2vlo h ILE 53 Cb 0.91 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 2vlo h ILE 53 CO -0.25 0.66 -1.52 -1.22 0.00 0.00 0.00 178.15 175.83 2vlo n TYR 54 N -3.89 0.00 -3.14 1.37 4.02 -0.81 -4.68 117.16 110.03 2vlo n TYR 54 Ca -0.31 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.38 2vlo n TYR 54 Cb 0.90 -0.29 -0.04 0.00 -0.02 0.00 0.00 39.34 39.89 2vlo n TYR 54 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2vlo n TYR 55 N -1.91 -0.39 -1.78 -0.72 4.02 0.30 -5.03 117.16 111.66 2vlo n TYR 55 Ca -0.02 -3.52 -0.34 0.00 -0.01 0.00 0.00 57.90 54.01 2vlo n TYR 55 Cb 0.37 -0.19 0.05 0.00 -0.02 0.00 0.00 39.34 39.55 2vlo n TYR 55 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2vlo s PRO 56 N -1.60 2.70 0.15 -0.72 0.04 -1.10 -4.62 135.00 129.85 2vlo s PRO 56 Ca 0.37 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.74 2vlo s PRO 56 Cb 0.26 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.81 2vlo s PRO 56 CO -0.10 -1.37 1.18 0.21 0.04 0.00 0.00 177.00 176.95 2vlo s LYS 57 N -3.76 4.50 0.06 4.56 2.20 -1.26 -4.90 119.74 121.14 2vlo s LYS 57 Ca 0.72 1.82 -0.37 0.00 -0.36 0.00 0.00 55.97 57.78 2vlo s LYS 57 Cb -0.26 -3.27 -0.18 0.00 -1.51 0.00 0.00 37.83 32.60 2vlo s LYS 57 CO 0.39 -0.09 1.10 -1.91 -0.36 0.00 0.00 175.35 174.47 2vlo n GLU 58 N 2.82 0.43 -1.10 4.03 0.00 -1.26 -0.49 120.64 125.07 2vlo n GLU 58 Ca 0.05 0.16 -0.03 0.00 0.00 0.00 0.00 57.16 57.33 2vlo n GLU 58 Cb 0.45 -1.65 -0.01 0.00 0.00 0.00 0.00 31.44 30.23 2vlo n GLU 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2vlo n GLY 59 N 1.87 0.65 3.78 8.31 0.00 -1.26 -5.06 105.19 113.48 2vlo n GLY 59 Ca 0.19 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 2vlo n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vlo s ASP 60 N -2.87 5.59 -0.46 1.61 -0.00 0.35 -5.07 116.67 115.83 2vlo s ASP 60 Ca 0.00 0.03 -0.22 0.00 -0.00 0.00 0.00 52.55 52.36 2vlo s ASP 60 Cb 0.00 -1.53 0.03 0.00 -0.00 0.00 0.00 42.92 41.42 2vlo s ASP 60 CO 0.00 0.19 0.72 -0.62 -0.00 0.00 0.00 175.17 175.46 2vlo s ASP 61 N -2.30 6.35 -0.17 0.27 2.15 -1.26 -4.89 116.67 116.82 2vlo s ASP 61 Ca 0.29 -0.29 0.11 0.00 0.43 0.00 0.00 52.55 53.08 2vlo s ASP 61 Cb -0.12 -2.35 0.61 0.00 -0.30 0.00 0.00 42.92 40.76 2vlo s ASP 61 CO 0.21 -0.88 1.44 -0.90 -0.17 0.00 0.00 175.17 174.87 2vlo n ASP 62 N 6.54 4.52 -4.77 -0.34 3.85 -1.26 -3.30 116.55 121.79 2vlo n ASP 62 Ca -0.00 -2.68 -0.32 0.00 -0.71 0.00 0.00 54.79 51.08 2vlo n ASP 62 Cb 0.48 -0.63 0.07 0.00 -1.35 0.00 0.00 41.12 39.69 2vlo n ASP 62 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2vlo s SER 63 N -0.59 4.77 0.27 -1.12 1.04 -1.26 -4.82 113.70 111.99 2vlo s SER 63 Ca 0.41 1.90 -0.00 0.00 0.48 0.00 0.00 55.95 58.74 2vlo s SER 63 Cb 0.31 -2.53 0.62 0.00 0.10 0.00 0.00 66.02 64.52 2vlo s SER 63 CO 0.12 -1.85 1.66 -0.65 0.98 0.00 0.00 173.24 173.50 2vlo h PRO 64 N -0.60 0.24 -0.07 4.02 0.11 -1.90 -0.10 132.00 133.70 2vlo h PRO 64 Ca -0.45 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 2vlo h PRO 64 Cb 1.24 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2vlo h PRO 64 CO 0.53 0.16 -0.76 0.77 -0.21 0.00 0.00 178.00 178.49 2vlo h SER 65 N 0.25 0.51 -0.75 -2.05 0.02 -1.92 -1.72 113.55 107.90 2vlo h SER 65 Ca 0.51 -0.35 0.11 0.00 -0.84 0.00 0.00 61.79 61.21 2vlo h SER 65 Cb 0.96 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 63.27 2vlo h SER 65 CO -0.59 1.10 0.37 1.23 -1.14 0.00 0.00 176.83 177.80 2vlo h GLY 66 N 1.24 1.15 1.19 -3.77 0.00 -1.26 -1.36 103.07 100.25 2vlo h GLY 66 Ca -0.04 -0.23 -0.26 0.00 0.00 0.00 0.00 47.33 46.80 2vlo h GLY 66 CO 0.13 0.04 -1.00 -2.22 0.00 0.00 0.00 176.54 173.48 2vlo h ILE 67 N 0.61 1.28 -0.44 2.60 2.04 -0.81 -1.61 117.51 121.19 2vlo h ILE 67 Ca 0.38 -2.21 0.04 0.00 1.00 0.00 0.00 64.86 64.07 2vlo h ILE 67 Cb 0.44 2.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 2vlo h ILE 67 CO -0.29 0.68 0.21 0.58 0.00 0.00 0.00 178.15 179.33 2vlo h VAL 68 N 0.40 0.95 -0.77 1.67 2.07 -1.22 -1.55 116.25 117.80 2vlo h VAL 68 Ca -0.12 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2vlo h VAL 68 Cb 1.66 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 2vlo h VAL 68 CO 0.20 0.08 0.50 -1.13 0.02 0.00 0.00 177.57 177.24 2vlo h ASN 69 N 0.42 0.89 -0.77 0.57 -0.73 -1.09 0.04 115.58 114.92 2vlo h ASN 69 Ca 0.19 -0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.28 2vlo h ASN 69 Cb 0.12 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.45 2vlo h ASN 69 CO -0.15 0.65 0.28 0.74 -0.37 0.00 0.00 177.43 178.58 2vlo h THR 70 N 1.05 1.26 0.03 -3.57 2.02 -0.89 -1.05 112.91 111.76 2vlo h THR 70 Ca 0.28 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 2vlo h THR 70 Cb -0.11 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 2vlo h THR 70 CO -0.06 0.35 -0.02 0.58 0.37 0.00 0.00 175.52 176.74 2vlo h VAL 71 N 1.13 1.19 -0.59 3.16 2.07 -0.92 -1.06 116.25 121.24 2vlo h VAL 71 Ca 0.25 -0.73 0.09 0.00 0.82 0.00 0.00 66.70 67.13 2vlo h VAL 71 Cb 0.26 1.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 2vlo h VAL 71 CO -0.01 0.19 0.23 0.50 0.02 0.00 0.00 177.57 178.49 2vlo h LYS 72 N -0.37 0.41 0.01 1.57 3.64 -0.85 0.10 116.57 121.08 2vlo h LYS 72 Ca -0.00 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.10 2vlo h LYS 72 Cb 0.34 -0.09 0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2vlo h LYS 72 CO 0.01 0.27 -1.02 1.96 -2.27 0.00 0.00 179.45 178.39 2vlo h GLN 73 N 0.42 0.60 -0.49 1.90 4.20 -1.18 -1.20 115.11 119.36 2vlo h GLN 73 Ca 0.29 -0.66 -0.11 0.00 0.06 0.00 0.00 58.65 58.23 2vlo h GLN 73 Cb 0.34 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 2vlo h GLN 73 CO -0.28 1.26 -0.13 2.35 -0.67 0.00 0.00 178.83 181.35 2vlo h TRP 74 N 0.33 1.04 -0.69 2.96 7.01 -0.76 -0.48 115.95 125.36 2vlo h TRP 74 Ca -0.12 -0.21 -0.05 0.00 2.11 0.00 0.00 58.89 60.62 2vlo h TRP 74 Cb 1.67 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 28.45 2vlo h TRP 74 CO 0.09 0.99 0.24 0.00 -2.79 0.00 0.00 178.44 176.97 2vlo h ARG 75 N 0.83 1.05 -0.21 2.65 3.08 -0.71 -1.40 114.38 119.67 2vlo h ARG 75 Ca 0.13 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.98 2vlo h ARG 75 Cb 0.67 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2vlo h ARG 75 CO 0.05 0.90 0.08 0.00 -1.07 0.00 0.00 179.97 179.93 2vlo h ALA 76 N 1.11 0.23 0.00 0.04 0.00 -0.61 -0.08 119.26 119.94 2vlo h ALA 76 Ca 0.22 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2vlo h ALA 76 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2vlo h ALA 76 CO -0.01 -0.34 -0.30 0.00 0.00 0.00 0.00 179.25 178.59 2vlo h ALA 77 N 1.12 1.34 -0.59 0.00 0.00 -0.94 -2.77 119.26 117.42 2vlo h ALA 77 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2vlo h ALA 77 Cb 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2vlo h ALA 77 CO -0.08 0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.64 2vlo n ASN 78 N -3.95 4.56 -1.68 0.00 3.02 -0.54 -4.93 115.26 111.74 2vlo n ASN 78 Ca -0.02 -2.48 -0.15 0.00 -0.03 0.00 0.00 54.58 51.91 2vlo n ASN 78 Cb 0.37 -0.57 -0.01 0.00 -0.61 0.00 0.00 39.78 38.96 2vlo n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vlo n GLY 79 N 1.00 -0.11 3.98 7.41 0.00 -1.00 -5.02 105.19 111.45 2vlo n GLY 79 Ca 0.24 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2vlo n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vlo s LYS 80 N -4.64 3.00 0.66 1.61 1.02 -0.08 -5.04 119.74 116.27 2vlo s LYS 80 Ca 0.00 -1.11 -0.15 0.00 0.02 0.00 0.00 55.97 54.73 2vlo s LYS 80 Cb 0.00 -2.77 -0.00 0.00 -0.52 0.00 0.00 37.83 34.54 2vlo s LYS 80 CO 0.00 -0.03 1.11 -1.54 -0.92 0.00 0.00 175.35 173.97 2vlo s SER 81 N -4.21 5.11 0.00 2.83 1.04 -1.26 -4.44 113.70 112.77 2vlo s SER 81 Ca 0.47 1.99 0.00 0.00 0.48 0.00 0.00 55.95 58.90 2vlo s SER 81 Cb -0.09 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2vlo s SER 81 CO 0.31 -1.63 0.00 0.61 0.98 0.00 0.00 173.24 173.51 2vlo n GLY 82 N -0.54 5.60 3.77 7.32 0.00 -1.26 -4.86 105.19 115.22 2vlo n GLY 82 Ca 0.10 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.68 2vlo n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vlo s PHE 83 N 0.93 2.81 0.36 1.61 0.40 -1.26 -3.93 117.98 118.90 2vlo s PHE 83 Ca 0.00 1.49 -0.28 0.00 -0.60 0.00 0.00 56.93 57.54 2vlo s PHE 83 Cb 0.00 -3.50 -0.11 0.00 0.51 0.00 0.00 43.02 39.92 2vlo s PHE 83 CO 0.00 -1.80 1.49 0.21 0.70 0.00 0.00 175.22 175.82 2vlo s LYS 84 N -2.57 4.13 0.23 0.44 2.20 0.24 -4.91 119.74 119.49 2vlo s LYS 84 Ca 0.62 2.55 -0.30 0.00 -0.36 0.00 0.00 55.97 58.48 2vlo s LYS 84 Cb -0.33 -2.98 -0.09 0.00 -1.51 0.00 0.00 37.83 32.92 2vlo s LYS 84 CO 0.40 -0.52 1.35 -1.14 -0.36 0.00 0.00 175.35 175.07 2vlo s GLN 85 N -1.84 4.35 0.67 4.03 0.74 -1.26 -4.04 119.66 122.30 2vlo s GLN 85 Ca 0.54 2.14 -0.11 0.00 0.05 0.00 0.00 55.36 57.98 2vlo s GLN 85 Cb -0.46 -3.15 -0.01 0.00 1.10 0.00 0.00 33.01 30.49 2vlo s GLN 85 CO 0.60 -0.29 1.05 0.20 -0.55 0.00 0.00 175.29 176.31 2vlo s GLY 86 N 0.24 1.69 -0.42 2.59 0.00 -1.26 -4.93 107.32 105.23 2vlo s GLY 86 Ca 0.56 0.06 0.01 0.00 0.00 0.00 0.00 44.72 45.35 2vlo s GLY 86 CO 0.41 0.36 0.18 -2.27 0.00 0.00 0.00 173.10 171.78 2vlo s LEU 87 N -5.39 4.94 0.23 0.66 0.20 -1.26 -5.08 118.68 112.98 2vlo s LEU 87 Ca 0.58 -2.31 -0.31 0.00 0.69 0.00 0.00 54.13 52.78 2vlo s LEU 87 Cb -0.13 -1.73 -0.11 0.00 -0.43 0.00 0.00 46.19 43.79 2vlo s LEU 87 CO 0.54 -0.42 1.55 -0.70 -0.29 0.00 0.00 176.35 177.02 2vlo s GLU 88 N 0.72 4.20 0.03 1.98 2.12 -1.26 -4.97 118.70 121.52 2vlo s GLU 88 Ca 0.11 2.42 -0.30 0.00 0.36 0.00 0.00 54.97 57.57 2vlo s GLU 88 Cb -0.21 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 2vlo s GLU 88 CO -0.05 -0.57 1.04 -1.58 -0.54 0.00 0.00 175.26 173.56 2vlo s HIS 89 N 0.46 3.61 -0.13 5.30 5.65 -1.26 -5.04 115.29 123.89 2vlo s HIS 89 Ca 0.65 1.60 -0.02 0.00 0.25 0.00 0.00 55.06 57.54 2vlo s HIS 89 Cb -0.45 -3.20 -0.02 0.00 -1.18 0.00 0.00 32.58 27.73 2vlo s HIS 89 CO 0.40 -0.35 -0.08 -1.01 -0.65 0.00 0.00 174.74 173.05 2vlo s HIS 90 N 0.93 2.93 -0.62 3.88 0.09 -1.26 -4.99 115.29 116.25 2vlo s HIS 90 Ca 0.53 -0.35 0.25 0.00 -0.00 0.00 0.00 55.06 55.50 2vlo s HIS 90 Cb -0.24 -1.87 0.67 0.00 -0.00 0.00 0.00 32.58 31.14 2vlo s HIS 90 CO 0.29 -0.02 1.72 0.45 -0.00 0.00 0.00 174.74 177.18 2vlo h HIS 91 N 6.40 0.00 -4.02 1.40 3.86 -2.06 -3.46 115.15 117.26 2vlo h HIS 91 Ca -0.33 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.77 2vlo h HIS 91 Cb 1.19 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.51 2vlo h HIS 91 CO 0.53 0.00 -0.55 -1.01 0.86 0.00 0.00 177.93 177.75 2vlo s HIS 92 N -3.15 0.34 -2.02 2.45 3.76 -1.26 -5.38 115.29 110.03 2vlo s HIS 92 Ca 0.09 -0.80 0.32 0.00 -0.15 0.00 0.00 55.06 54.52 2vlo s HIS 92 Cb 0.10 -0.23 1.87 0.00 1.11 0.00 0.00 32.58 35.43 2vlo s HIS 92 CO 0.62 -0.43 2.21 0.72 -0.85 0.00 0.00 174.74 177.01