#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qyp h ASP 2 N 0.00 0.00 -0.45 -3.46 3.32 -2.00 -2.54 116.42 111.29 2qyp h ASP 2 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2qyp h ASP 2 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2qyp h ASP 2 CO 0.00 0.38 -0.15 0.58 -1.72 0.00 0.00 179.24 178.32 2qyp h VAL 3 N 0.00 1.27 -0.06 -1.35 2.07 -1.99 -0.93 116.25 115.26 2qyp h VAL 3 Ca -0.00 -1.29 -0.15 0.00 0.82 0.00 0.00 66.70 66.07 2qyp h VAL 3 Cb 0.68 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2qyp h VAL 3 CO 0.05 0.45 -0.64 1.88 0.02 0.00 0.00 177.57 179.33 2qyp h TYR 4 N 0.83 0.28 -0.25 1.57 0.05 -1.77 -1.05 116.97 116.63 2qyp h TYR 4 Ca 0.12 -0.11 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 2qyp h TYR 4 Cb 0.70 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 2qyp h TYR 4 CO 0.04 0.79 0.01 0.00 -1.05 0.00 0.00 178.16 177.95 2qyp h GLU 6 N 0.22 -0.22 -0.67 0.00 4.81 -1.07 -0.76 114.58 116.89 2qyp h GLU 6 Ca 0.07 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2qyp h GLU 6 Cb 0.40 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.79 2qyp h GLU 6 CO 0.01 -0.15 0.41 0.28 -0.73 0.00 0.00 179.01 178.83 2qyp h VAL 7 N -0.23 1.06 -0.85 0.32 2.07 -1.16 -1.38 116.25 116.08 2qyp h VAL 7 Ca 0.01 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2qyp h VAL 7 Cb 0.24 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 2qyp h VAL 7 CO -0.05 0.14 0.56 0.00 0.02 0.00 0.00 177.57 178.24 2qyp h GLU 9 N 1.12 0.97 -0.42 0.00 5.08 -0.58 -1.16 114.58 119.60 2qyp h GLU 9 Ca 0.33 -0.27 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2qyp h GLU 9 Cb -0.07 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 2qyp h GLU 9 CO -0.09 0.94 0.20 0.74 -1.00 0.00 0.00 179.01 179.80 2qyp h PHE 10 N 0.86 0.37 -0.17 4.33 0.04 -0.85 -2.04 116.94 119.49 2qyp h PHE 10 Ca 0.17 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.96 2qyp h PHE 10 Cb 0.46 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 2qyp h PHE 10 CO 0.03 0.19 0.11 -0.07 -0.60 0.00 0.00 178.31 177.97 2qyp h LEU 11 N 0.41 0.18 -0.74 1.54 3.38 -0.53 -1.22 115.31 118.33 2qyp h LEU 11 Ca 0.18 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2qyp h LEU 11 Cb 0.10 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2qyp h LEU 11 CO -0.13 0.13 0.46 0.58 0.09 0.00 0.00 178.44 179.57 2qyp h VAL 12 N 0.22 1.20 -0.43 1.22 2.07 -1.10 -1.85 116.25 117.58 2qyp h VAL 12 Ca 0.06 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 2qyp h VAL 12 Cb -0.02 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 2qyp h VAL 12 CO -0.02 0.21 0.04 0.11 0.02 0.00 0.00 177.57 177.93 2qyp h LYS 13 N 1.01 0.68 -0.69 1.57 1.57 -1.23 -2.52 116.57 116.95 2qyp h LYS 13 Ca 0.27 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2qyp h LYS 13 Cb -0.06 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 2qyp h LYS 13 CO -0.05 0.67 0.14 1.49 -0.57 0.00 0.00 179.45 181.13 2qyp h GLU 14 N 0.65 1.13 -0.50 3.15 4.57 -0.68 -2.69 114.58 120.21 2qyp h GLU 14 Ca 0.14 -0.29 -0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2qyp h GLU 14 Cb 0.35 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2qyp h GLU 14 CO 0.01 1.01 0.30 0.28 -1.18 0.00 0.00 179.01 179.43 2qyp h VAL 15 N 1.06 1.15 -0.56 0.32 2.07 -1.14 -2.69 116.25 116.46 2qyp h VAL 15 Ca 0.21 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.47 2qyp h VAL 15 Cb 0.41 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 2qyp h VAL 15 CO 0.01 0.15 0.28 0.74 0.02 0.00 0.00 177.57 178.77 2qyp h THR 16 N 0.67 0.93 0.00 2.57 2.02 -1.17 -1.17 112.91 116.75 2qyp h THR 16 Ca 0.18 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qyp h THR 16 Cb -0.02 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2qyp h THR 16 CO -0.03 0.10 0.00 2.29 0.37 0.00 0.00 175.52 178.24 2qyp n LYS 17 N -4.88 0.11 0.10 6.66 2.85 -1.04 -2.87 118.16 119.09 2qyp n LYS 17 Ca 0.06 0.10 -0.21 0.00 -1.05 0.00 0.00 58.31 57.21 2qyp n LYS 17 Cb 0.17 -1.63 -0.15 0.00 -0.65 0.00 0.00 35.03 32.77 2qyp n LYS 17 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2qyp h LEU 18 N 0.00 0.61 -0.97 -5.58 7.12 -0.89 -3.17 115.31 112.43 2qyp h LEU 18 Ca 0.00 -0.76 -0.05 0.00 0.13 0.00 0.00 57.88 57.20 2qyp h LEU 18 Cb 0.58 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.51 2qyp h LEU 18 CO 0.00 1.61 -0.26 0.40 -0.13 0.00 0.00 178.44 180.07 2qyp h ILE 19 N 0.11 0.59 0.00 4.05 1.08 -1.49 -3.20 117.51 118.64 2qyp h ILE 19 Ca -0.26 -1.25 0.00 0.00 -0.39 0.00 0.00 64.86 62.96 2qyp h ILE 19 Cb 2.09 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 37.68 2qyp h ILE 19 CO 0.21 0.25 0.00 -0.78 -0.69 0.00 0.00 178.15 177.14 2qyp h ASP 20 N 0.00 0.00 -3.50 1.72 -0.00 -1.50 -3.37 116.42 109.76 2qyp h ASP 20 Ca -0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 57.03 56.48 2qyp h ASP 20 Cb 0.82 0.00 0.19 0.00 -0.00 0.00 0.00 39.33 40.34 2qyp h ASP 20 CO 0.03 0.00 -0.20 0.59 -0.00 0.00 0.00 179.24 179.66 2qyp n ASN 21 N -2.95 -0.61 0.20 2.28 5.03 -1.21 -4.90 115.26 113.10 2qyp n ASN 21 Ca 0.01 0.57 0.09 0.00 0.87 0.00 0.00 54.58 56.13 2qyp n ASN 21 Cb 0.29 -1.30 0.23 0.00 -1.02 0.00 0.00 39.78 37.99 2qyp n ASN 21 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 2qyp h ASN 22 N -0.57 0.00 -0.31 6.41 -0.26 -1.92 -2.89 115.58 116.04 2qyp h ASN 22 Ca -0.46 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.17 2qyp h ASN 22 Cb 1.33 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.57 2qyp h ASN 22 CO 0.43 0.19 -0.19 0.07 -1.06 0.00 0.00 177.43 176.87 2qyp h LYS 23 N 0.00 0.78 0.06 0.81 2.10 -1.93 -1.83 116.57 116.56 2qyp h LYS 23 Ca -0.00 -0.30 -0.21 0.00 -2.00 0.00 0.00 60.65 58.14 2qyp h LYS 23 Cb 1.02 -0.04 0.02 0.00 -0.90 0.00 0.00 32.23 32.33 2qyp h LYS 23 CO 0.03 0.91 -0.84 1.15 -2.00 0.00 0.00 179.45 178.70 2qyp h THR 24 N 0.69 1.40 -0.80 0.07 2.02 -1.83 -2.78 112.91 111.68 2qyp h THR 24 Ca 0.10 -2.29 0.10 0.00 0.77 0.00 0.00 66.41 65.09 2qyp h THR 24 Cb 0.70 2.75 -0.07 0.00 -1.74 0.00 0.00 68.15 69.78 2qyp h THR 24 CO 0.05 0.67 0.44 -0.33 0.37 0.00 0.00 175.52 176.73 2qyp h GLU 25 N -0.04 0.71 0.04 6.66 5.08 -1.47 -0.78 114.58 124.78 2qyp h GLU 25 Ca -0.12 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2qyp h GLU 25 Cb 1.57 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2qyp h GLU 25 CO 0.16 0.47 -0.02 0.87 -1.00 0.00 0.00 179.01 179.50 2qyp h LYS 26 N 0.73 -0.05 -0.43 2.33 1.79 -1.42 -1.41 116.57 118.12 2qyp h LYS 26 Ca 0.39 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.95 2qyp h LYS 26 Cb 0.39 0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 30.96 2qyp h LYS 26 CO -0.26 0.19 -0.19 0.93 -1.08 0.00 0.00 179.45 179.03 2qyp h GLU 27 N -0.28 -0.10 -0.42 3.15 5.08 -1.14 0.28 114.58 121.15 2qyp h GLU 27 Ca -0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2qyp h GLU 27 Cb 0.26 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2qyp h GLU 27 CO 0.01 -0.07 0.20 0.82 -1.00 0.00 0.00 179.01 178.97 2qyp h ILE 28 N -0.11 1.18 -0.42 3.13 2.04 -1.16 0.57 117.51 122.75 2qyp h ILE 28 Ca 0.21 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 2qyp h ILE 28 Cb 0.43 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2qyp h ILE 28 CO -0.50 0.20 0.06 -0.07 0.00 0.00 0.00 178.15 177.84 2qyp h LEU 29 N 0.54 0.67 -0.63 1.44 -0.00 -0.73 -1.46 115.31 115.14 2qyp h LEU 29 Ca 0.14 -0.27 -0.01 0.00 -0.00 0.00 0.00 57.88 57.75 2qyp h LEU 29 Cb 0.13 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.58 2qyp h LEU 29 CO -0.02 0.77 0.37 0.44 -0.00 0.00 0.00 178.44 180.00 2qyp h ASP 30 N 0.55 0.77 0.15 -0.43 3.32 -0.29 -2.93 116.42 117.57 2qyp h ASP 30 Ca 0.13 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 2qyp h ASP 30 Cb 0.39 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2qyp h ASP 30 CO 0.01 0.61 -0.28 0.00 -1.72 0.00 0.00 179.24 177.86 2qyp h ALA 31 N 1.19 1.31 -2.41 3.45 0.00 -0.76 -3.35 119.26 118.69 2qyp h ALA 31 Ca 0.23 -0.32 -0.46 0.00 0.00 0.00 0.00 54.91 54.36 2qyp h ALA 31 Cb -0.01 -0.09 0.14 0.00 0.00 0.00 0.00 17.79 17.84 2qyp h ALA 31 CO -0.04 0.48 0.26 0.12 0.00 0.00 0.00 179.25 180.06 2qyp s PHE 32 N -4.40 2.37 0.00 0.00 2.19 -0.56 -3.38 117.98 114.20 2qyp s PHE 32 Ca -0.05 1.00 0.00 0.00 0.33 0.00 0.00 56.93 58.22 2qyp s PHE 32 Cb 0.14 -3.27 0.00 0.00 -1.31 0.00 0.00 43.02 38.58 2qyp s PHE 32 CO 0.75 -2.50 0.00 -0.25 1.83 0.00 0.00 175.22 175.05 2qyp n ASP 33 N -3.90 0.00 -0.01 6.13 8.00 -1.26 -4.56 116.55 120.95 2qyp n ASP 33 Ca 0.06 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.45 2qyp n ASP 33 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.62 2qyp n ASP 33 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2qyp h LYS 34 N 0.00 0.16 -1.01 -1.24 6.56 -1.69 -0.93 116.57 118.42 2qyp h LYS 34 Ca 0.00 -0.02 0.24 0.00 -1.06 0.00 0.00 60.65 59.81 2qyp h LYS 34 Cb 0.00 -0.03 -0.09 0.00 -0.57 0.00 0.00 32.23 31.54 2qyp h LYS 34 CO 0.00 0.18 0.64 0.52 -2.06 0.00 0.00 179.45 178.73 2qyp h MET 35 N 0.09 0.44 -0.09 3.15 2.86 -1.80 -1.48 114.93 118.11 2qyp h MET 35 Ca 0.04 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.49 2qyp h MET 35 Cb 0.07 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2qyp h MET 35 CO -0.01 0.29 -0.64 0.00 1.06 0.00 0.00 176.91 177.62 2qyp n SER 37 N -3.87 0.62 0.00 0.00 3.41 -0.43 -1.33 113.62 112.02 2qyp n SER 37 Ca -0.03 0.71 0.07 0.00 -0.26 0.00 0.00 58.87 59.36 2qyp n SER 37 Cb 0.65 -0.82 0.41 0.00 -0.26 0.00 0.00 64.21 64.18 2qyp n SER 37 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2qyp n LYS 38 N -2.25 0.62 -2.66 4.33 4.81 -1.13 -4.76 118.16 117.12 2qyp n LYS 38 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.35 2qyp n LYS 38 Cb 0.14 -1.34 -0.02 0.00 0.02 0.00 0.00 35.03 33.83 2qyp n LYS 38 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2qyp n LEU 39 N -0.84 0.00 0.00 3.14 7.99 -0.44 -5.15 117.00 121.69 2qyp n LEU 39 Ca 0.10 -0.97 0.00 0.00 -0.01 0.00 0.00 56.01 55.14 2qyp n LEU 39 Cb 0.05 0.08 0.00 0.00 -0.11 0.00 0.00 43.42 43.43 2qyp n LEU 39 CO 0.08 -0.20 0.00 -2.65 -1.51 0.00 0.00 177.39 173.10 2qyp n PRO 40 N -0.54 0.07 0.00 3.23 -0.02 -1.26 -4.90 135.00 131.58 2qyp n PRO 40 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2qyp n PRO 40 Cb 0.20 -0.01 0.00 0.00 -0.02 0.00 0.00 33.50 33.66 2qyp n PRO 40 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2qyp n LYS 41 N 0.04 0.00 0.04 -0.52 4.81 -1.26 -4.36 118.16 116.92 2qyp n LYS 41 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 2qyp n LYS 41 Cb 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.91 2qyp n LYS 41 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2qyp h SER 42 N 0.00 0.28 -0.42 3.14 4.64 -1.99 -3.30 113.55 115.89 2qyp h SER 42 Ca 0.00 -0.41 -0.15 0.00 -0.47 0.00 0.00 61.79 60.76 2qyp h SER 42 Cb 0.00 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 61.91 2qyp h SER 42 CO 0.00 1.35 0.19 0.18 -0.87 0.00 0.00 176.83 177.68 2qyp n LEU 43 N -3.37 4.29 0.00 5.97 4.32 -1.26 -3.25 117.00 123.70 2qyp n LEU 43 Ca -0.15 -2.23 0.00 0.00 -0.02 0.00 0.00 56.01 53.61 2qyp n LEU 43 Cb 1.03 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 2qyp n LEU 43 CO 0.49 0.64 0.01 -0.24 -1.22 0.00 0.00 177.39 177.06 2qyp n SER 44 N -0.06 0.03 -0.27 -1.43 2.88 -1.26 -4.20 113.62 109.32 2qyp n SER 44 Ca 0.24 -0.25 0.11 0.00 -1.33 0.00 0.00 58.87 57.64 2qyp n SER 44 Cb 0.95 0.16 0.04 0.00 -0.75 0.00 0.00 64.21 64.61 2qyp n SER 44 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2qyp n GLU 45 N -0.16 0.69 -0.00 -1.46 -0.58 -1.20 -3.47 120.64 114.45 2qyp n GLU 45 Ca 0.00 -0.54 0.02 0.00 -0.42 0.00 0.00 57.16 56.23 2qyp n GLU 45 Cb 0.03 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.38 2qyp n GLU 45 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2qyp n GLU 46 N -0.69 2.65 -0.02 3.49 1.02 -1.21 -4.14 120.64 121.74 2qyp n GLU 46 Ca 0.08 -0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 57.04 2qyp n GLU 46 Cb 0.40 -0.94 -0.11 0.00 -0.02 0.00 0.00 31.44 30.77 2qyp n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qyp h GLN 48 N -0.37 0.85 -0.34 0.00 4.20 -1.82 -2.23 115.11 115.40 2qyp h GLN 48 Ca -0.03 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.66 2qyp h GLN 48 Cb 1.01 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 2qyp h GLN 48 CO 0.06 0.56 0.15 1.49 -0.67 0.00 0.00 178.83 180.42 2qyp h GLU 49 N 0.88 0.30 -0.15 1.46 4.57 -1.72 -0.96 114.58 118.96 2qyp h GLU 49 Ca 0.24 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 58.20 2qyp h GLU 49 Cb -0.08 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 2qyp h GLU 49 CO -0.06 0.20 -0.72 0.28 -1.18 0.00 0.00 179.01 177.53 2qyp h VAL 50 N 0.31 1.31 -0.55 0.32 2.07 -1.43 -0.63 116.25 117.65 2qyp h VAL 50 Ca 0.15 -1.98 0.02 0.00 0.82 0.00 0.00 66.70 65.71 2qyp h VAL 50 Cb 0.09 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 2qyp h VAL 50 CO -0.13 0.62 0.34 0.58 0.02 0.00 0.00 177.57 179.00 2qyp h VAL 51 N 0.47 1.08 -0.28 2.57 2.07 -1.28 -1.09 116.25 119.78 2qyp h VAL 51 Ca -0.03 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2qyp h VAL 51 Cb 1.32 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2qyp h VAL 51 CO 0.14 0.12 0.12 0.44 0.02 0.00 0.00 177.57 178.41 2qyp h ASP 52 N 0.67 0.39 -0.14 0.57 3.45 -0.94 -1.40 116.42 119.01 2qyp h ASP 52 Ca 0.22 -0.16 -0.07 0.00 0.43 0.00 0.00 57.03 57.45 2qyp h ASP 52 Cb -0.00 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 38.67 2qyp h ASP 52 CO -0.09 0.44 -0.17 0.74 -1.57 0.00 0.00 179.24 178.60 2qyp h THR 53 N 0.31 1.35 0.00 0.35 2.02 -0.97 -3.38 112.91 112.60 2qyp h THR 53 Ca 0.10 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.92 2qyp h THR 53 Cb 0.17 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2qyp h THR 53 CO -0.01 0.40 -1.70 -1.22 0.37 0.00 0.00 175.52 173.36 2qyp n TYR 54 N -4.53 0.00 -0.07 3.16 4.01 -0.42 -4.74 117.16 114.56 2qyp n TYR 54 Ca -0.06 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.61 2qyp n TYR 54 Cb 0.38 -0.36 -0.01 0.00 -0.31 0.00 0.00 39.34 39.05 2qyp n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2qyp h GLY 55 N 2.97 0.27 0.57 2.72 0.00 -1.38 -1.52 103.07 106.70 2qyp h GLY 55 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.43 2qyp h GLY 55 CO 0.00 -0.06 0.20 0.23 0.00 0.00 0.00 176.54 176.91 2qyp h SER 56 N 0.08 0.23 -0.31 0.19 0.87 -1.82 -1.83 113.55 110.97 2qyp h SER 56 Ca 0.13 0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.65 2qyp h SER 56 Cb 0.18 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2qyp h SER 56 CO -0.22 0.16 -0.19 0.28 -0.53 0.00 0.00 176.83 176.33 2qyp h SER 57 N 0.39 0.70 -0.72 6.23 0.02 -1.71 -2.79 113.55 115.67 2qyp h SER 57 Ca 0.24 -0.42 0.06 0.00 -0.84 0.00 0.00 61.79 60.82 2qyp h SER 57 Cb 0.23 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 2qyp h SER 57 CO -0.23 0.97 0.42 0.40 -1.14 0.00 0.00 176.83 177.26 2qyp h ILE 58 N 0.42 1.00 -0.10 3.27 2.04 -1.18 -2.51 117.51 120.46 2qyp h ILE 58 Ca 0.06 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2qyp h ILE 58 Cb 0.72 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2qyp h ILE 58 CO 0.05 0.14 0.03 0.25 0.00 0.00 0.00 178.15 178.63 2qyp h LEU 59 N 0.78 0.14 -1.18 1.44 6.46 -1.19 -2.08 115.31 119.68 2qyp h LEU 59 Ca 0.32 -0.19 -0.08 0.00 -0.12 0.00 0.00 57.88 57.81 2qyp h LEU 59 Cb 0.17 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2qyp h LEU 59 CO -0.17 0.30 -0.39 0.77 -0.62 0.00 0.00 178.44 178.33 2qyp h SER 60 N -0.02 0.00 1.01 1.25 4.64 -1.48 -3.16 113.55 115.80 2qyp h SER 60 Ca 0.03 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.16 2qyp h SER 60 Cb 0.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 2qyp h SER 60 CO -0.00 0.39 -0.91 -0.29 -0.87 0.00 0.00 176.83 175.14 2qyp h ILE 61 N 0.00 1.60 -0.01 0.95 6.09 -1.28 -3.08 117.51 121.78 2qyp h ILE 61 Ca -0.00 -3.17 -0.16 0.00 -1.37 0.00 0.00 64.86 60.16 2qyp h ILE 61 Cb 0.74 2.74 -0.02 0.00 0.47 0.00 0.00 36.82 40.75 2qyp h ILE 61 CO 0.05 0.89 -0.72 0.17 -3.07 0.00 0.00 178.15 175.47 2qyp h LEU 62 N 0.00 0.07 -0.47 2.19 8.10 -1.35 -2.86 115.31 120.99 2qyp h LEU 62 Ca -0.01 -0.05 -0.05 0.00 0.11 0.00 0.00 57.88 57.88 2qyp h LEU 62 Cb 1.66 -0.02 -0.02 0.00 -0.44 0.00 0.00 40.66 41.84 2qyp h LEU 62 CO 0.12 0.77 0.11 -0.07 -4.11 0.00 0.00 178.44 175.26 2qyp h LEU 63 N 0.04 0.72 -1.80 0.17 3.38 -1.63 -3.25 115.31 112.94 2qyp h LEU 63 Ca -0.01 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.76 2qyp h LEU 63 Cb 1.28 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2qyp h LEU 63 CO 0.10 0.77 0.22 -0.33 0.09 0.00 0.00 178.44 179.29 2qyp h GLU 64 N 0.64 0.25 -0.00 1.13 5.08 -1.41 -2.85 114.58 117.41 2qyp h GLU 64 Ca 0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2qyp h GLU 64 Cb 0.34 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2qyp h GLU 64 CO 0.00 0.17 -0.34 0.39 -1.00 0.00 0.00 179.01 178.23 2qyp n GLU 65 N -4.49 0.18 -1.68 2.33 1.02 -1.19 -4.90 120.64 111.92 2qyp n GLU 65 Ca 0.03 -0.09 -0.47 0.00 -0.02 0.00 0.00 57.16 56.61 2qyp n GLU 65 Cb 0.20 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.08 2qyp n GLU 65 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2qyp n VAL 66 N -1.33 0.30 -3.36 2.62 0.31 -1.08 -4.97 118.33 110.83 2qyp n VAL 66 Ca 0.08 -0.05 -0.44 0.00 -0.01 0.00 0.00 64.34 63.92 2qyp n VAL 66 Cb 0.33 -1.75 -0.08 0.00 -0.91 0.00 0.00 33.84 31.43 2qyp n VAL 66 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2qyp s SER 67 N 2.51 6.16 0.24 4.52 0.15 -1.26 -4.95 113.70 121.07 2qyp s SER 67 Ca 0.85 -0.99 -0.05 0.00 0.70 0.00 0.00 55.95 56.46 2qyp s SER 67 Cb -0.66 -2.20 0.37 0.00 -1.71 0.00 0.00 66.02 61.82 2qyp s SER 67 CO 0.44 -0.62 1.80 -0.65 1.20 0.00 0.00 173.24 175.41 2qyp h PRO 68 N 8.75 0.70 0.00 5.44 0.11 -1.93 -1.76 132.00 143.31 2qyp h PRO 68 Ca -0.27 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 2qyp h PRO 68 Cb 1.11 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2qyp h PRO 68 CO 0.83 0.46 -0.21 1.49 -0.21 0.00 0.00 178.00 180.36 2qyp h GLU 69 N 0.72 0.00 0.00 1.05 4.81 -1.95 -1.85 114.58 117.36 2qyp h GLU 69 Ca 0.38 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.56 2qyp h GLU 69 Cb 0.37 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2qyp h GLU 69 CO -0.25 0.21 -0.29 1.25 -0.73 0.00 0.00 179.01 179.20 2qyp h LEU 70 N 0.00 0.00 -0.82 1.64 5.85 -1.79 -2.86 115.31 117.34 2qyp h LEU 70 Ca -0.00 -0.72 0.17 0.00 0.84 0.00 0.00 57.88 58.17 2qyp h LEU 70 Cb 0.42 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.30 2qyp h LEU 70 CO 0.03 1.03 -0.14 0.58 -0.34 0.00 0.00 178.44 179.59 2qyp h VAL 71 N -1.00 0.20 0.00 1.05 2.07 -1.31 -1.72 116.25 115.54 2qyp h VAL 71 Ca -0.07 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 2qyp h VAL 71 Cb 0.91 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2qyp h VAL 71 CO -0.05 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 177.21 2qyp h SER 73 N 0.00 0.50 0.45 0.00 0.87 -1.10 -0.61 113.55 113.67 2qyp h SER 73 Ca -0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2qyp h SER 73 Cb 0.92 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2qyp h SER 73 CO 0.04 1.25 0.00 0.23 -0.53 0.00 0.00 176.83 177.83 2qyp n MET 74 N -3.69 0.52 0.00 2.24 2.81 -0.74 -1.84 117.12 116.42 2qyp n MET 74 Ca -0.07 0.01 0.11 0.00 -1.81 0.00 0.00 57.70 55.93 2qyp n MET 74 Cb 0.88 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.80 2qyp n MET 74 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2qyp n LEU 75 N -1.23 0.66 -1.21 4.03 4.77 -1.09 -4.99 117.00 117.93 2qyp n LEU 75 Ca 0.16 -0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 55.78 2qyp n LEU 75 Cb 0.21 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 2qyp n LEU 75 CO 0.22 0.15 -0.06 1.41 -1.33 0.00 0.00 177.39 177.77 2qyp n HIS 76 N -1.77 -0.63 -0.06 -1.77 8.25 -0.76 -4.94 115.22 113.53 2qyp n HIS 76 Ca 0.02 0.11 -0.15 0.00 -0.26 0.00 0.00 57.72 57.44 2qyp n HIS 76 Cb 0.41 -2.37 -0.14 0.00 1.12 0.00 0.00 29.99 29.01 2qyp n HIS 76 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qyp n LEU 77 N -1.56 1.82 -0.38 2.41 4.32 -0.28 -5.00 117.00 118.32 2qyp n LEU 77 Ca -0.08 0.11 0.05 0.00 -0.02 0.00 0.00 56.01 56.08 2qyp n LEU 77 Cb 0.57 -0.45 0.04 0.00 -1.62 0.00 0.00 43.42 41.95 2qyp n LEU 77 CO 0.16 0.71 0.40 0.00 -1.22 0.00 0.00 177.39 177.44