#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1neq s SER 2 N 0.00 6.18 0.39 0.00 0.01 -1.26 -4.93 113.70 114.09 1neq s SER 2 Ca 0.00 0.20 0.26 0.00 1.31 0.00 0.00 55.95 57.71 1neq s SER 2 Cb 0.00 -2.17 0.68 0.00 0.21 0.00 0.00 66.02 64.74 1neq s SER 2 CO 0.00 -0.10 1.72 0.78 0.41 0.00 0.00 173.24 176.05 1neq h ASN 3 N 8.07 0.00 0.00 2.44 -0.26 -2.09 -3.44 115.58 120.30 1neq h ASN 3 Ca -0.34 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.40 1neq h ASN 3 Cb 1.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 1neq h ASN 3 CO 0.62 0.00 0.00 -0.62 -1.06 0.00 0.00 177.43 176.37 1neq n GLU 4 N -2.82 0.00 -1.94 0.81 -0.58 -1.26 0.27 120.64 115.12 1neq n GLU 4 Ca 0.04 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.41 1neq n GLU 4 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 1neq n GLU 4 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1neq n LYS 5 N 0.00 3.41 0.00 3.49 2.85 -1.26 -4.89 118.16 121.75 1neq n LYS 5 Ca 0.00 -3.39 0.00 0.00 -1.05 0.00 0.00 58.31 53.87 1neq n LYS 5 Cb 0.00 -2.32 0.00 0.00 -0.65 0.00 0.00 35.03 32.06 1neq n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1neq n ALA 6 N 0.26 0.00 0.00 0.58 0.00 0.78 -4.45 120.51 117.68 1neq n ALA 6 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1neq n ALA 6 Cb 0.33 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1neq n ALA 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1neq n ARG 7 N -0.42 2.32 -1.02 0.00 5.12 -1.26 -5.07 116.66 116.34 1neq n ARG 7 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 1neq n ARG 7 Cb 0.00 -0.85 0.26 0.00 -1.16 0.00 0.00 32.46 30.70 1neq n ARG 7 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1neq s ASP 8 N -1.94 0.38 0.03 0.55 1.01 -1.26 -4.87 116.67 110.56 1neq s ASP 8 Ca 0.00 0.50 -0.30 0.00 0.71 0.00 0.00 52.55 53.46 1neq s ASP 8 Cb 0.00 -0.64 -0.06 0.00 1.01 0.00 0.00 42.92 43.23 1neq s ASP 8 CO 0.00 -4.44 1.38 0.26 0.21 0.00 0.00 175.17 172.58 1neq s TRP 9 N -2.98 2.99 0.79 4.23 0.52 -1.08 -4.92 118.94 118.50 1neq s TRP 9 Ca 0.72 0.89 -0.16 0.00 0.02 0.00 0.00 56.10 57.57 1neq s TRP 9 Cb -0.07 -3.64 -0.09 0.00 -1.15 0.00 0.00 33.47 28.51 1neq s TRP 9 CO 0.56 -2.32 -0.10 0.72 0.02 0.00 0.00 176.95 175.83 1neq n HIS 10 N 4.93 -2.89 0.33 -1.98 8.25 -1.26 -4.48 115.22 118.12 1neq n HIS 10 Ca 0.12 0.23 0.21 0.00 -0.26 0.00 0.00 57.72 58.03 1neq n HIS 10 Cb 0.44 -1.68 1.14 0.00 1.12 0.00 0.00 29.99 31.01 1neq n HIS 10 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1neq h ARG 11 N -0.64 0.00 0.02 -0.41 3.08 -1.93 0.20 114.38 114.70 1neq h ARG 11 Ca -0.44 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.30 1neq h ARG 11 Cb 1.35 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.35 1neq h ARG 11 CO 0.35 0.00 -1.80 0.00 -1.07 0.00 0.00 179.97 177.44 1neq n ALA 12 N -2.10 1.38 0.24 0.04 0.00 -1.26 -2.96 120.51 115.85 1neq n ALA 12 Ca -0.03 -0.76 0.11 0.00 0.00 0.00 0.00 53.44 52.76 1neq n ALA 12 Cb 0.11 -0.78 0.55 0.00 0.00 0.00 0.00 19.45 19.33 1neq n ALA 12 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1neq h ASP 13 N 0.01 0.00 0.13 0.00 3.32 -0.97 1.53 116.42 120.44 1neq h ASP 13 Ca -0.33 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 1neq h ASP 13 Cb 2.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.58 1neq h ASP 13 CO 0.08 0.18 -0.06 0.58 -1.72 0.00 0.00 179.24 178.29 1neq h VAL 14 N 0.00 0.00 -0.08 -1.35 2.07 -1.12 -2.26 116.25 113.51 1neq h VAL 14 Ca -0.00 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1neq h VAL 14 Cb 0.63 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1neq h VAL 14 CO 0.02 0.00 -0.08 0.40 0.02 0.00 0.00 177.57 177.93 1neq h ILE 15 N -0.74 1.37 -0.50 4.57 2.04 -1.48 0.71 117.51 123.47 1neq h ILE 15 Ca -0.02 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.60 1neq h ILE 15 Cb 0.14 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1neq h ILE 15 CO 0.03 0.35 0.33 0.00 0.00 0.00 0.00 178.15 178.86 1neq h ALA 16 N 0.56 0.64 0.08 1.87 0.00 0.20 1.48 119.26 124.08 1neq h ALA 16 Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1neq h ALA 16 Cb 0.60 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1neq h ALA 16 CO 0.02 0.08 -0.04 0.78 0.00 0.00 0.00 179.25 180.09 1neq h GLY 17 N 0.68 -0.12 0.71 0.00 0.00 -1.40 -1.24 103.07 101.71 1neq h GLY 17 Ca 0.18 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 1neq h GLY 17 CO -0.04 -0.04 -0.24 1.41 0.00 0.00 0.00 176.54 177.63 1neq h LEU 18 N -0.36 -0.56 -1.04 3.11 3.38 -0.62 -2.70 115.31 116.51 1neq h LEU 18 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1neq h LEU 18 Cb 0.31 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1neq h LEU 18 CO 0.02 -0.21 0.21 1.17 0.09 0.00 0.00 178.44 179.72 1neq n LYS 19 N -5.27 0.10 0.22 1.13 4.81 0.50 -1.37 118.16 118.28 1neq n LYS 19 Ca -0.11 0.59 0.17 0.00 -0.87 0.00 0.00 58.31 58.09 1neq n LYS 19 Cb 0.31 -2.05 0.84 0.00 0.02 0.00 0.00 35.03 34.15 1neq n LYS 19 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1neq h LYS 20 N 0.00 0.00 0.00 1.64 3.64 -0.87 -3.34 116.57 117.64 1neq h LYS 20 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1neq h LYS 20 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1neq h LYS 20 CO 0.00 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.72 1neq n ARG 21 N -3.79 0.00 -2.73 1.90 1.74 -0.47 -5.02 116.66 108.29 1neq n ARG 21 Ca 0.01 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.01 1neq n ARG 21 Cb 0.30 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.82 1neq n ARG 21 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1neq n LYS 22 N -0.80 0.89 -3.88 5.56 5.02 -1.25 -5.14 118.16 118.56 1neq n LYS 22 Ca 0.00 -1.78 -0.12 0.00 -2.02 0.00 0.00 58.31 54.39 1neq n LYS 22 Cb 0.00 -1.10 -0.13 0.00 -0.02 0.00 0.00 35.03 33.78 1neq n LYS 22 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1neq s LEU 23 N -1.70 1.93 -0.13 -0.35 1.43 -1.25 -4.98 118.68 113.62 1neq s LEU 23 Ca 0.25 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 1neq s LEU 23 Cb 0.27 0.11 0.06 0.00 0.03 0.00 0.00 46.19 46.66 1neq s LEU 23 CO -0.12 -0.06 0.28 -0.94 0.23 0.00 0.00 176.35 175.75 1neq s SER 24 N -0.22 -0.05 0.61 2.29 1.04 -1.26 -3.08 113.70 113.04 1neq s SER 24 Ca -0.02 0.63 0.24 0.00 0.48 0.00 0.00 55.95 57.28 1neq s SER 24 Cb -0.02 0.63 0.83 0.00 0.10 0.00 0.00 66.02 67.57 1neq s SER 24 CO -0.00 -0.20 1.27 -0.07 0.98 0.00 0.00 173.24 175.22 1neq h LEU 25 N 7.69 0.00 0.01 2.42 3.38 -1.98 1.42 115.31 128.24 1neq h LEU 25 Ca -0.28 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.42 1neq h LEU 25 Cb 1.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.90 1neq h LEU 25 CO 0.25 0.00 -1.13 0.77 0.09 0.00 0.00 178.44 178.42 1neq h SER 26 N 0.00 0.66 -0.06 -0.43 4.64 -1.94 -2.91 113.55 113.51 1neq h SER 26 Ca 0.45 -0.60 -0.10 0.00 -0.47 0.00 0.00 61.79 61.06 1neq h SER 26 Cb 2.85 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 64.73 1neq h SER 26 CO -0.00 1.42 -0.37 0.00 -0.87 0.00 0.00 176.83 177.01 1neq h ALA 27 N 0.51 0.13 0.00 5.18 0.00 0.15 -3.07 119.26 122.17 1neq h ALA 27 Ca -0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 1neq h ALA 27 Cb 1.80 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1neq h ALA 27 CO 0.20 0.22 -0.09 -0.07 0.00 0.00 0.00 179.25 179.51 1neq h LEU 28 N -0.13 0.00 0.45 0.00 4.07 -1.54 -0.73 115.31 117.42 1neq h LEU 28 Ca -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 1neq h LEU 28 Cb 1.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1neq h LEU 28 CO 0.08 0.09 -0.21 0.77 -1.08 0.00 0.00 178.44 178.08 1neq h SER 29 N 0.00 -0.51 0.98 -0.43 4.64 -1.45 -3.17 113.55 113.62 1neq h SER 29 Ca -0.00 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1neq h SER 29 Cb 0.21 0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1neq h SER 29 CO 0.01 -0.09 -0.05 0.08 -0.87 0.00 0.00 176.83 175.91 1neq h ARG 30 N -1.05 0.00 0.00 4.77 0.11 -1.44 0.19 114.38 116.97 1neq h ARG 30 Ca -0.06 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.97 1neq h ARG 30 Cb 0.55 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 1neq h ARG 30 CO 0.10 0.05 -0.22 1.96 0.10 0.00 0.00 179.97 181.97 1neq h GLN 31 N 0.00 0.00 0.00 0.08 4.20 -1.12 -3.02 115.11 115.25 1neq h GLN 31 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1neq h GLN 31 Cb 0.56 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 1neq h GLN 31 CO 0.01 0.22 -1.96 1.19 -0.67 0.00 0.00 178.83 177.61 1neq n PHE 32 N -4.27 0.00 0.00 2.96 3.01 -1.02 -5.03 117.46 113.11 1neq n PHE 32 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1neq n PHE 32 Cb 0.27 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 39.10 1neq n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1neq n GLY 33 N 1.92 3.50 3.67 1.37 0.00 0.65 -5.08 105.19 111.22 1neq n GLY 33 Ca -0.18 -0.99 -0.59 0.00 0.00 0.00 0.00 46.02 44.26 1neq n GLY 33 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1neq n TYR 34 N 0.00 1.71 -0.99 1.61 4.01 -1.14 -4.66 117.16 117.70 1neq n TYR 34 Ca 0.00 0.76 -0.35 0.00 -0.16 0.00 0.00 57.90 58.15 1neq n TYR 34 Cb 0.00 -2.34 0.07 0.00 -0.31 0.00 0.00 39.34 36.76 1neq n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1neq n ALA 35 N 4.02 -3.66 0.19 -0.72 0.00 -1.26 -4.01 120.51 115.08 1neq n ALA 35 Ca 0.25 -0.54 0.15 0.00 0.00 0.00 0.00 53.44 53.31 1neq n ALA 35 Cb 0.09 -1.51 0.76 0.00 0.00 0.00 0.00 19.45 18.80 1neq n ALA 35 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1neq h PRO 36 N -1.02 0.00 -0.34 0.00 0.13 -1.89 -2.06 132.00 126.82 1neq h PRO 36 Ca -0.44 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1neq h PRO 36 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1neq h PRO 36 CO 0.32 0.00 0.13 1.79 -0.23 0.00 0.00 178.00 180.01 1neq h THR 37 N 0.00 1.19 0.42 1.56 1.35 -1.95 -2.40 112.91 113.08 1neq h THR 37 Ca 0.08 -0.58 -0.01 0.00 -0.55 0.00 0.00 66.41 65.35 1neq h THR 37 Cb 0.39 0.95 -0.03 0.00 -1.73 0.00 0.00 68.15 67.73 1neq h THR 37 CO -0.00 0.20 -0.49 0.74 -0.25 0.00 0.00 175.52 175.72 1neq h THR 38 N 0.40 0.00 -0.58 6.82 2.02 -1.67 0.21 112.91 120.10 1neq h THR 38 Ca 0.11 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.41 1neq h THR 38 Cb 0.19 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.51 1neq h THR 38 CO -0.01 0.00 0.02 0.25 0.37 0.00 0.00 175.52 176.16 1neq h LEU 39 N -0.93 -0.21 0.74 2.58 5.85 -1.58 -0.63 115.31 121.14 1neq h LEU 39 Ca -0.05 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1neq h LEU 39 Cb 0.82 0.23 0.01 0.00 0.37 0.00 0.00 40.66 42.09 1neq h LEU 39 CO -0.10 -0.08 -0.36 0.00 -0.34 0.00 0.00 178.44 177.57 1neq h ALA 40 N 1.52 -0.99 0.00 1.25 0.00 -1.01 -1.77 119.26 118.25 1neq h ALA 40 Ca 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1neq h ALA 40 Cb 0.48 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1neq h ALA 40 CO -0.48 -1.04 0.12 0.09 0.00 0.00 0.00 179.25 177.95 1neq n ASN 41 N -5.50 0.22 0.00 0.00 4.13 0.72 -1.31 115.26 113.52 1neq n ASN 41 Ca -0.14 0.53 0.06 0.00 1.68 0.00 0.00 54.58 56.71 1neq n ASN 41 Cb 0.40 -0.53 0.35 0.00 -1.54 0.00 0.00 39.78 38.46 1neq n ASN 41 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1neq n ALA 42 N -1.53 2.17 0.01 5.41 0.00 -0.29 -0.86 120.51 125.42 1neq n ALA 42 Ca -0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1neq n ALA 42 Cb 0.14 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.26 1neq n ALA 42 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1neq h LEU 43 N 0.00 0.10 -0.04 0.00 3.38 -1.37 -3.41 115.31 113.98 1neq h LEU 43 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1neq h LEU 43 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1neq h LEU 43 CO 0.00 1.15 0.00 -1.84 0.09 0.00 0.00 178.44 177.84 1neq n GLU 44 N -3.21 3.77 -2.35 1.13 0.28 -1.13 -5.07 120.64 114.07 1neq n GLU 44 Ca -0.15 -0.02 -0.32 0.00 -0.16 0.00 0.00 57.16 56.52 1neq n GLU 44 Cb 1.03 -0.32 -0.03 0.00 1.43 0.00 0.00 31.44 33.55 1neq n GLU 44 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1neq s ARG 45 N -0.54 3.87 -0.97 3.44 3.52 -0.04 -4.95 118.95 123.27 1neq s ARG 45 Ca 0.00 0.86 -0.24 0.00 -0.13 0.00 0.00 55.73 56.23 1neq s ARG 45 Cb 0.00 -2.15 -0.02 0.00 -1.56 0.00 0.00 34.95 31.22 1neq s ARG 45 CO 0.00 -0.30 1.81 -1.58 -0.81 0.00 0.00 175.30 174.41 1neq s HIS 46 N -2.70 2.05 -0.43 5.12 2.46 -1.26 -4.70 115.29 115.83 1neq s HIS 46 Ca 0.57 0.14 0.02 0.00 0.47 0.00 0.00 55.06 56.27 1neq s HIS 46 Cb -0.10 -4.24 0.24 0.00 -0.13 0.00 0.00 32.58 28.35 1neq s HIS 46 CO 0.35 -1.75 0.99 1.87 -2.47 0.00 0.00 174.74 173.73 1neq n TRP 47 N 12.46 -2.31 0.30 3.88 -0.00 -1.26 -4.99 117.44 125.52 1neq n TRP 47 Ca 0.39 -1.24 0.17 0.00 -0.00 0.00 0.00 57.50 56.82 1neq n TRP 47 Cb 0.48 1.36 0.91 0.00 -0.00 0.00 0.00 31.31 34.06 1neq n TRP 47 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1neq h PRO 48 N 3.96 0.00 0.00 5.87 0.11 -1.94 -0.57 132.00 139.43 1neq h PRO 48 Ca -0.12 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 1neq h PRO 48 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1neq h PRO 48 CO 0.07 0.00 -0.16 -0.22 -0.21 0.00 0.00 178.00 177.48 1neq h LYS 49 N 0.00 0.00 -0.08 1.05 1.63 -1.98 -2.88 116.57 114.30 1neq h LYS 49 Ca 0.00 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.65 1neq h LYS 49 Cb 0.33 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 1neq h LYS 49 CO 0.00 0.16 -0.59 0.78 -3.45 0.00 0.00 179.45 176.35 1neq h GLY 50 N 2.31 0.30 2.00 5.01 0.00 -1.46 -2.76 103.07 108.46 1neq h GLY 50 Ca -0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 1neq h GLY 50 CO 0.02 0.32 -0.53 0.83 0.00 0.00 0.00 176.54 177.18 1neq h GLU 51 N 0.20 0.00 -0.51 4.80 5.08 -1.64 -2.80 114.58 119.71 1neq h GLU 51 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1neq h GLU 51 Cb 1.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1neq h GLU 51 CO 0.09 0.53 0.32 1.96 -1.00 0.00 0.00 179.01 180.92 1neq h GLN 52 N 0.00 0.63 -0.46 2.33 1.08 -1.43 0.13 115.11 117.39 1neq h GLN 52 Ca -0.01 -0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.24 1neq h GLN 52 Cb 0.96 -0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 28.17 1neq h GLN 52 CO 0.07 0.42 0.02 0.82 -0.95 0.00 0.00 178.83 179.20 1neq h ILE 53 N 0.65 0.66 0.37 2.54 2.04 -1.44 0.45 117.51 122.78 1neq h ILE 53 Ca 0.20 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 1neq h ILE 53 Cb -0.03 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1neq h ILE 53 CO -0.07 0.02 -0.18 0.40 0.00 0.00 0.00 178.15 178.33 1neq h ILE 54 N 0.13 0.57 -0.45 -0.67 2.04 -1.33 -3.06 117.51 114.75 1neq h ILE 54 Ca 0.23 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.59 1neq h ILE 54 Cb 0.33 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1neq h ILE 54 CO -0.37 0.09 0.30 0.00 0.00 0.00 0.00 178.15 178.18 1neq h ALA 55 N -0.39 1.91 -0.84 1.87 0.00 -0.51 -0.58 119.26 120.73 1neq h ALA 55 Ca -0.05 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1neq h ALA 55 Cb 0.53 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1neq h ALA 55 CO 0.08 0.01 0.55 -0.97 0.00 0.00 0.00 179.25 178.92 1neq h ASN 56 N 0.40 0.81 -0.50 0.00 -1.24 -0.01 -0.34 115.58 114.70 1neq h ASN 56 Ca 0.19 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 1neq h ASN 56 Cb 0.26 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.12 1neq h ASN 56 CO -0.05 0.52 0.30 0.00 -1.29 0.00 0.00 177.43 176.91 1neq h ALA 57 N 1.55 1.54 -0.30 1.57 0.00 -1.02 0.45 119.26 123.05 1neq h ALA 57 Ca 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1neq h ALA 57 Cb 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1neq h ALA 57 CO -0.13 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.78 1neq n LEU 58 N -4.42 1.84 -1.43 0.00 4.77 -0.21 -4.87 117.00 112.68 1neq n LEU 58 Ca 0.05 -0.88 -0.14 0.00 -0.03 0.00 0.00 56.01 55.01 1neq n LEU 58 Cb 0.09 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1neq n LEU 58 CO 0.36 0.44 -0.14 -0.62 -1.33 0.00 0.00 177.39 176.11 1neq n GLU 59 N 0.48 -1.33 -1.51 3.23 1.02 0.15 -4.91 120.64 117.77 1neq n GLU 59 Ca 0.13 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 1neq n GLU 59 Cb 0.31 -5.11 0.00 0.00 -0.02 0.00 0.00 31.44 26.62 1neq n GLU 59 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1neq n THR 60 N -1.97 0.00 -4.12 2.62 5.66 -0.91 -5.00 114.28 110.55 1neq n THR 60 Ca -0.14 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.55 1neq n THR 60 Cb 0.47 -0.46 -0.07 0.00 -1.55 0.00 0.00 70.33 68.72 1neq n THR 60 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1neq s LYS 61 N -1.92 2.74 0.58 1.09 1.02 -1.26 -4.31 119.74 117.67 1neq s LYS 61 Ca 0.00 -0.73 0.27 0.00 0.02 0.00 0.00 55.97 55.53 1neq s LYS 61 Cb 0.00 -2.65 1.70 0.00 -0.52 0.00 0.00 37.83 36.36 1neq s LYS 61 CO 0.00 0.57 2.23 -1.00 -0.92 0.00 0.00 175.35 176.23 1neq h PRO 62 N 3.56 0.00 0.00 -1.68 0.13 -1.91 -0.96 132.00 131.13 1neq h PRO 62 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1neq h PRO 62 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1neq h PRO 62 CO 0.62 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.78 1neq n GLU 63 N -4.00 0.02 -0.02 0.86 1.02 -1.26 -1.58 120.64 115.68 1neq n GLU 63 Ca -0.03 0.50 -0.10 0.00 -0.02 0.00 0.00 57.16 57.52 1neq n GLU 63 Cb 0.09 -1.56 -0.14 0.00 -0.02 0.00 0.00 31.44 29.82 1neq n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1neq n VAL 64 N -1.59 1.62 0.06 2.62 0.31 -0.37 -3.28 118.33 117.69 1neq n VAL 64 Ca 0.00 -0.79 0.03 0.00 -0.01 0.00 0.00 64.34 63.58 1neq n VAL 64 Cb 0.01 -1.08 -0.06 0.00 -0.91 0.00 0.00 33.84 31.81 1neq n VAL 64 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1neq h ILE 65 N 0.01 0.35 -2.07 2.52 2.04 -1.44 -3.40 117.51 115.52 1neq h ILE 65 Ca -0.31 -1.70 -0.57 0.00 1.00 0.00 0.00 64.86 63.28 1neq h ILE 65 Cb 2.02 1.88 -0.40 0.00 -0.74 0.00 0.00 36.82 39.58 1neq h ILE 65 CO 0.08 0.20 -0.92 0.79 0.00 0.00 0.00 178.15 178.30 1neq n TRP 66 N -2.83 1.08 -0.04 1.37 8.01 -0.71 -2.63 117.44 121.69 1neq n TRP 66 Ca -0.07 -3.78 -0.14 0.00 -1.31 0.00 0.00 57.50 52.21 1neq n TRP 66 Cb 0.75 -0.42 -0.02 0.00 -2.01 0.00 0.00 31.31 29.61 1neq n TRP 66 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1neq h PRO 67 N 4.07 0.76 0.00 -0.99 0.13 -1.77 -3.14 132.00 131.06 1neq h PRO 67 Ca 0.12 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1neq h PRO 67 Cb 0.80 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1neq h PRO 67 CO 0.60 1.14 0.00 0.45 -0.23 0.00 0.00 178.00 179.95 1neq n SER 68 N -3.97 0.00 -0.02 1.44 2.88 -1.26 -1.99 113.62 110.70 1neq n SER 68 Ca -0.05 0.04 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1neq n SER 68 Cb 0.65 -0.29 -0.14 0.00 -0.75 0.00 0.00 64.21 63.68 1neq n SER 68 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1neq n ARG 69 N -1.29 0.66 -3.91 -1.46 5.12 -1.19 -4.79 116.66 109.80 1neq n ARG 69 Ca 0.09 -0.05 -0.35 0.00 -1.93 0.00 0.00 57.85 55.60 1neq n ARG 69 Cb 0.15 -1.60 -0.13 0.00 -1.16 0.00 0.00 32.46 29.72 1neq n ARG 69 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1neq s TYR 70 N -3.12 3.01 0.00 -1.55 2.02 -0.84 -4.90 117.35 111.96 1neq s TYR 70 Ca -0.07 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 55.95 1neq s TYR 70 Cb 0.11 -2.14 0.00 0.00 -0.40 0.00 0.00 41.96 39.53 1neq s TYR 70 CO 0.86 -0.42 0.05 0.94 -1.57 0.00 0.00 175.55 175.41 1neq n GLN 71 N 4.71 0.00 0.00 -0.62 7.27 -1.26 -4.78 117.38 122.69 1neq n GLN 71 Ca -0.17 -0.05 0.00 0.00 0.07 0.00 0.00 57.00 56.85 1neq n GLN 71 Cb 0.51 -0.21 0.00 0.00 2.41 0.00 0.00 30.24 32.95 1neq n GLN 71 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1neq n ALA 72 N 0.00 1.69 0.00 1.69 0.00 -1.26 -4.89 120.51 117.74 1neq n ALA 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1neq n ALA 72 Cb 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1neq n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1neq n GLY 73 N 0.06 0.78 0.44 0.00 0.00 -1.26 -5.33 105.19 99.87 1neq n GLY 73 Ca 0.00 -1.11 0.14 0.00 0.00 0.00 0.00 46.02 45.05 1neq n GLY 73 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48