#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr7 s SER 2 N 0.00 2.67 -0.30 1.61 0.01 -1.26 -5.08 113.70 111.35 2cr7 s SER 2 Ca 0.00 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 56.74 2cr7 s SER 2 Cb 0.00 -1.21 0.19 0.00 0.21 0.00 0.00 66.02 65.21 2cr7 s SER 2 CO 0.00 0.02 0.76 -0.55 0.41 0.00 0.00 173.24 173.89 2cr7 s SER 3 N 1.01 -1.10 0.00 2.44 0.15 -1.26 -5.13 113.70 109.81 2cr7 s SER 3 Ca -0.05 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2cr7 s SER 3 Cb -0.15 1.84 0.00 0.00 -1.71 0.00 0.00 66.02 66.00 2cr7 s SER 3 CO -0.03 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2cr7 n GLY 4 N 5.40 0.31 2.93 9.45 0.00 -1.26 -5.16 105.19 116.85 2cr7 n GLY 4 Ca 0.00 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 2cr7 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr7 s SER 5 N 2.00 0.29 -0.13 1.61 1.04 -1.26 -5.13 113.70 112.12 2cr7 s SER 5 Ca 0.00 -0.14 -0.23 0.00 0.48 0.00 0.00 55.95 56.06 2cr7 s SER 5 Cb 0.00 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 2cr7 s SER 5 CO 0.00 -0.04 0.69 -0.55 0.98 0.00 0.00 173.24 174.33 2cr7 s SER 6 N -0.36 6.87 0.00 7.02 0.15 -1.26 -4.91 113.70 121.21 2cr7 s SER 6 Ca -0.02 1.05 0.00 0.00 0.70 0.00 0.00 55.95 57.68 2cr7 s SER 6 Cb -0.03 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2cr7 s SER 6 CO -0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2cr7 n GLY 7 N 3.42 -1.16 3.39 9.45 0.00 -1.26 -4.74 105.19 114.29 2cr7 n GLY 7 Ca -0.00 -1.61 -0.45 0.00 0.00 0.00 0.00 46.02 43.96 2cr7 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cr7 s VAL 8 N -1.42 4.84 0.00 1.61 1.01 -1.26 -4.90 120.40 120.28 2cr7 s VAL 8 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.75 2cr7 s VAL 8 Cb 0.00 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.81 2cr7 s VAL 8 CO 0.00 -1.24 0.00 1.57 0.00 0.00 0.00 175.10 175.43 2cr7 n HIS 9 N 6.25 0.00 -2.73 5.22 -0.00 -1.26 -4.69 115.22 118.01 2cr7 n HIS 9 Ca 0.01 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.78 2cr7 n HIS 9 Cb 0.45 -0.38 -0.04 0.00 -0.12 0.00 0.00 29.99 29.89 2cr7 n HIS 9 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2cr7 s VAL 10 N -0.98 4.49 -0.74 3.57 0.11 -1.26 -4.85 120.40 120.75 2cr7 s VAL 10 Ca 0.00 2.07 -0.13 0.00 -2.93 0.00 0.00 61.98 60.99 2cr7 s VAL 10 Cb 0.00 -4.32 -0.21 0.00 -1.53 0.00 0.00 36.38 30.31 2cr7 s VAL 10 CO 0.00 0.32 1.76 1.21 -3.33 0.00 0.00 175.10 175.05 2cr7 n GLU 11 N 2.77 0.00 -2.35 1.54 4.07 -1.26 -4.74 120.64 120.68 2cr7 n GLU 11 Ca 0.02 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.79 2cr7 n GLU 11 Cb 0.49 -0.89 0.01 0.00 -0.06 0.00 0.00 31.44 30.99 2cr7 n GLU 11 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2cr7 n ASP 12 N 5.59 6.00 -0.05 4.31 8.00 -1.26 -4.76 116.55 134.37 2cr7 n ASP 12 Ca 0.50 -3.76 -0.01 0.00 0.71 0.00 0.00 54.79 52.23 2cr7 n ASP 12 Cb 0.07 -0.77 -0.00 0.00 -0.02 0.00 0.00 41.12 40.39 2cr7 n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cr7 h ALA 13 N 2.96 0.00 -0.80 2.24 0.00 -1.85 -3.33 119.26 118.48 2cr7 h ALA 13 Ca 0.40 -0.10 -0.46 0.00 0.00 0.00 0.00 54.91 54.75 2cr7 h ALA 13 Cb 0.48 0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.12 2cr7 h ALA 13 CO 1.10 0.10 0.59 1.47 0.00 0.00 0.00 179.25 182.51 2cr7 n LEU 14 N -4.72 6.45 -0.07 0.00 -0.00 -1.26 -4.45 117.00 112.95 2cr7 n LEU 14 Ca -0.01 -3.45 -0.05 0.00 -0.00 0.00 0.00 56.01 52.49 2cr7 n LEU 14 Cb 0.05 -0.86 -0.03 0.00 -0.00 0.00 0.00 43.42 42.59 2cr7 n LEU 14 CO 0.02 1.10 -0.23 0.74 -0.00 0.00 0.00 177.39 179.01 2cr7 h THR 15 N 0.87 0.17 0.00 1.47 2.02 -1.89 -3.34 112.91 112.21 2cr7 h THR 15 Ca 0.50 -1.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 2cr7 h THR 15 Cb 1.91 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.68 2cr7 h THR 15 CO 1.03 0.06 -0.13 0.22 0.37 0.00 0.00 175.52 177.07 2cr7 h TYR 16 N -1.00 0.00 0.50 3.16 5.03 -1.82 -3.27 116.97 119.57 2cr7 h TYR 16 Ca -0.03 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.25 2cr7 h TYR 16 Cb 0.46 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.75 2cr7 h TYR 16 CO -0.11 0.13 -0.24 1.25 -1.32 0.00 0.00 178.16 177.87 2cr7 h LEU 17 N 0.00 -0.57 -0.86 2.82 7.12 -1.79 -2.07 115.31 119.96 2cr7 h LEU 17 Ca -0.00 0.02 0.21 0.00 0.13 0.00 0.00 57.88 58.24 2cr7 h LEU 17 Cb 0.75 0.15 -0.13 0.00 -0.53 0.00 0.00 40.66 40.90 2cr7 h LEU 17 CO 0.02 -0.40 0.32 -0.78 -0.13 0.00 0.00 178.44 177.46 2cr7 h ASP 18 N -0.68 0.19 0.26 1.25 3.58 -1.68 -0.02 116.42 119.32 2cr7 h ASP 18 Ca -0.07 0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 2cr7 h ASP 18 Cb 0.51 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2cr7 h ASP 18 CO 0.11 -0.05 -0.35 1.56 -2.88 0.00 0.00 179.24 177.63 2cr7 h GLN 19 N 0.33 -0.62 -0.35 0.28 1.08 -1.58 0.82 115.11 115.07 2cr7 h GLN 19 Ca 0.53 0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.88 2cr7 h GLN 19 Cb 1.01 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 2cr7 h GLN 19 CO -0.56 -0.41 0.27 -0.24 -0.95 0.00 0.00 178.83 176.94 2cr7 h VAL 20 N -0.64 0.75 -0.07 -0.54 3.04 -0.64 0.14 116.25 118.30 2cr7 h VAL 20 Ca -0.03 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.52 2cr7 h VAL 20 Cb 0.58 0.81 -0.01 0.00 -2.01 0.00 0.00 31.29 30.65 2cr7 h VAL 20 CO -0.09 0.00 -0.56 0.50 -1.01 0.00 0.00 177.57 176.40 2cr7 h LYS 21 N 0.00 0.21 0.10 4.17 3.64 -0.09 -1.79 116.57 122.80 2cr7 h LYS 21 Ca 0.17 -0.13 -0.21 0.00 -1.27 0.00 0.00 60.65 59.21 2cr7 h LYS 21 Cb 0.70 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2cr7 h LYS 21 CO -0.00 0.71 -1.04 0.82 -2.27 0.00 0.00 179.45 177.67 2cr7 h ILE 22 N 0.16 1.26 0.51 2.00 2.04 0.15 -3.20 117.51 120.43 2cr7 h ILE 22 Ca -0.00 -2.42 -0.02 0.00 1.00 0.00 0.00 64.86 63.42 2cr7 h ILE 22 Cb 1.04 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 2cr7 h ILE 22 CO 0.09 0.66 -0.24 -0.09 0.00 0.00 0.00 178.15 178.56 2cr7 h ARG 23 N -0.48 -0.66 -1.88 2.37 9.65 -0.90 -2.99 114.38 119.49 2cr7 h ARG 23 Ca -0.22 0.04 -0.58 0.00 -1.10 0.00 0.00 59.98 58.12 2cr7 h ARG 23 Cb 1.59 0.15 -0.21 0.00 -1.39 0.00 0.00 29.97 30.10 2cr7 h ARG 23 CO 0.05 -0.43 0.65 1.19 2.80 0.00 0.00 179.97 184.23 2cr7 n PHE 24 N -5.38 2.16 0.07 2.20 3.01 -0.67 -4.65 117.46 114.20 2cr7 n PHE 24 Ca -0.12 -2.14 -0.13 0.00 1.01 0.00 0.00 57.45 56.07 2cr7 n PHE 24 Cb 0.29 -1.29 -0.09 0.00 -0.01 0.00 0.00 39.48 38.38 2cr7 n PHE 24 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2cr7 h GLY 25 N 3.36 -0.20 -2.93 1.37 0.00 -1.52 -3.11 103.07 100.05 2cr7 h GLY 25 Ca 0.46 0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.81 2cr7 h GLY 25 CO 1.10 -0.07 0.06 1.44 0.00 0.00 0.00 176.54 179.07 2cr7 n SER 26 N -5.02 4.32 -3.91 0.19 7.64 -1.26 -4.63 113.62 110.95 2cr7 n SER 26 Ca -0.09 -2.74 -0.28 0.00 1.01 0.00 0.00 58.87 56.77 2cr7 n SER 26 Cb 0.22 -0.65 -0.12 0.00 -1.01 0.00 0.00 64.21 62.65 2cr7 n SER 26 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2cr7 s ASP 27 N -0.57 4.86 0.40 6.43 1.11 -1.18 -4.91 116.67 122.82 2cr7 s ASP 27 Ca 0.40 -3.81 0.19 0.00 0.18 0.00 0.00 52.55 49.51 2cr7 s ASP 27 Cb 0.31 -1.65 0.85 0.00 1.07 0.00 0.00 42.92 43.49 2cr7 s ASP 27 CO 0.11 -0.10 1.82 1.55 1.18 0.00 0.00 175.17 179.74 2cr7 h PRO 28 N 5.48 0.00 -0.39 8.23 0.13 -1.82 -1.58 132.00 142.05 2cr7 h PRO 28 Ca 0.13 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.20 2cr7 h PRO 28 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2cr7 h PRO 28 CO 0.72 0.32 -0.01 0.00 -0.23 0.00 0.00 178.00 178.80 2cr7 h ALA 29 N 1.68 0.52 0.11 -0.56 0.00 -1.96 -0.42 119.26 118.64 2cr7 h ALA 29 Ca -0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 2cr7 h ALA 29 Cb 0.73 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.40 2cr7 h ALA 29 CO 0.04 0.31 -0.78 1.15 0.00 0.00 0.00 179.25 179.97 2cr7 h THR 30 N 0.51 1.48 -0.48 0.00 2.02 -1.94 -3.21 112.91 111.30 2cr7 h THR 30 Ca 0.11 -2.42 0.01 0.00 0.77 0.00 0.00 66.41 64.87 2cr7 h THR 30 Cb 0.49 3.04 -0.03 0.00 -1.74 0.00 0.00 68.15 69.92 2cr7 h THR 30 CO 0.02 0.69 0.31 0.22 0.37 0.00 0.00 175.52 177.14 2cr7 h TYR 31 N -0.28 0.59 0.01 3.16 3.20 -1.33 -2.82 116.97 119.49 2cr7 h TYR 31 Ca -0.13 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.79 2cr7 h TYR 31 Cb 1.58 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 39.60 2cr7 h TYR 31 CO 0.18 0.36 -0.29 -0.91 -1.64 0.00 0.00 178.16 175.87 2cr7 h ASN 32 N 0.63 -0.85 -0.99 -2.11 2.35 -1.18 -1.56 115.58 111.87 2cr7 h ASN 32 Ca 0.18 0.11 0.22 0.00 -0.55 0.00 0.00 56.30 56.26 2cr7 h ASN 32 Cb -0.05 0.34 -0.09 0.00 0.05 0.00 0.00 38.32 38.56 2cr7 h ASN 32 CO -0.05 -0.35 0.62 1.23 -1.65 0.00 0.00 177.43 177.23 2cr7 h GLY 33 N -0.44 1.41 2.00 2.83 0.00 -1.52 0.53 103.07 107.88 2cr7 h GLY 33 Ca 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 2cr7 h GLY 33 CO -0.24 -0.08 -0.15 -2.75 0.00 0.00 0.00 176.54 173.32 2cr7 h PHE 34 N 0.56 0.00 0.09 5.60 3.57 -1.05 -2.46 116.94 123.26 2cr7 h PHE 34 Ca 0.56 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.75 2cr7 h PHE 34 Cb 1.17 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 2cr7 h PHE 34 CO -0.00 0.15 -1.67 -0.07 -2.23 0.00 0.00 178.31 174.49 2cr7 h LEU 35 N 0.00 0.31 -2.30 0.59 3.38 0.20 -3.32 115.31 114.17 2cr7 h LEU 35 Ca -0.00 -0.82 0.04 0.00 0.09 0.00 0.00 57.88 57.19 2cr7 h LEU 35 Cb 0.34 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2cr7 h LEU 35 CO 0.02 1.71 0.18 1.05 0.09 0.00 0.00 178.44 181.49 2cr7 h GLU 36 N -0.29 0.00 -0.02 1.13 4.11 -0.61 -1.37 114.58 117.53 2cr7 h GLU 36 Ca -0.38 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.92 2cr7 h GLU 36 Cb 1.79 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.05 2cr7 h GLU 36 CO 0.01 0.00 -0.51 0.82 0.07 0.00 0.00 179.01 179.40 2cr7 h ILE 37 N 0.00 1.43 -0.06 -1.06 2.04 -1.57 -3.28 117.51 115.01 2cr7 h ILE 37 Ca 0.06 -1.98 -0.00 0.00 1.00 0.00 0.00 64.86 63.94 2cr7 h ILE 37 Cb 0.41 2.53 -0.00 0.00 -0.74 0.00 0.00 36.82 39.02 2cr7 h ILE 37 CO -0.00 0.57 0.03 0.24 0.00 0.00 0.00 178.15 179.00 2cr7 h MET 38 N -0.13 0.08 -0.93 2.37 2.86 -1.37 -2.81 114.93 115.01 2cr7 h MET 38 Ca -0.06 -0.01 0.27 0.00 -2.06 0.00 0.00 59.70 57.84 2cr7 h MET 38 Cb 1.21 -0.02 -0.16 0.00 0.06 0.00 0.00 31.60 32.70 2cr7 h MET 38 CO 0.10 0.13 0.21 0.87 1.06 0.00 0.00 176.91 179.28 2cr7 h LYS 39 N 0.01 0.12 0.26 1.72 6.56 -1.51 -0.29 116.57 123.44 2cr7 h LYS 39 Ca 0.02 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2cr7 h LYS 39 Cb 0.07 -0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.67 2cr7 h LYS 39 CO -0.00 0.08 -0.52 0.93 -2.06 0.00 0.00 179.45 177.87 2cr7 h GLU 40 N 0.12 -0.82 -0.78 3.15 4.39 -1.56 -1.77 114.58 117.32 2cr7 h GLU 40 Ca 0.60 0.06 0.18 0.00 0.34 0.00 0.00 59.36 60.54 2cr7 h GLU 40 Cb 1.29 0.19 -0.12 0.00 -0.10 0.00 0.00 28.75 30.00 2cr7 h GLU 40 CO -0.75 -0.55 0.18 0.35 -1.16 0.00 0.00 179.01 177.09 2cr7 h PHE 41 N -0.85 0.28 -0.09 4.33 3.04 -1.10 0.70 116.94 123.25 2cr7 h PHE 41 Ca -0.03 0.05 0.03 0.00 3.98 0.00 0.00 57.97 61.99 2cr7 h PHE 41 Cb 0.80 -0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.31 2cr7 h PHE 41 CO -0.38 -0.13 0.08 -0.22 -2.02 0.00 0.00 178.31 175.64 2cr7 h LYS 42 N 0.25 0.00 -0.86 1.11 3.64 -0.81 0.24 116.57 120.13 2cr7 h LYS 42 Ca 0.45 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.64 2cr7 h LYS 42 Cb 0.82 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.52 2cr7 h LYS 42 CO -0.56 0.00 0.25 0.45 -2.27 0.00 0.00 179.45 177.32 2cr7 n SER 43 N -4.17 3.95 -3.17 4.20 2.88 0.24 -4.87 113.62 112.67 2cr7 n SER 43 Ca -0.01 -2.93 -0.20 0.00 -1.33 0.00 0.00 58.87 54.40 2cr7 n SER 43 Cb 0.18 -0.69 -0.01 0.00 -0.75 0.00 0.00 64.21 62.94 2cr7 n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cr7 n GLN 44 N -0.15 -3.12 -0.07 -1.46 6.02 0.07 -4.83 117.38 113.85 2cr7 n GLN 44 Ca 0.32 0.46 -0.22 0.00 -0.01 0.00 0.00 57.00 57.55 2cr7 n GLN 44 Cb 1.15 -5.14 -0.12 0.00 1.02 0.00 0.00 30.24 27.15 2cr7 n GLN 44 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2cr7 n SER 45 N -2.16 2.00 -4.65 1.08 7.64 -0.91 -4.99 113.62 111.62 2cr7 n SER 45 Ca -0.04 0.25 -0.26 0.00 1.01 0.00 0.00 58.87 59.84 2cr7 n SER 45 Cb 0.55 -0.84 -0.09 0.00 -1.01 0.00 0.00 64.21 62.82 2cr7 n SER 45 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2cr7 s ILE 46 N -2.48 2.35 0.29 0.44 -4.36 -1.26 -4.95 121.20 111.23 2cr7 s ILE 46 Ca -0.28 -1.91 0.02 0.00 -0.26 0.00 0.00 60.65 58.22 2cr7 s ILE 46 Cb 0.08 -2.90 0.02 0.00 1.25 0.00 0.00 42.46 40.91 2cr7 s ILE 46 CO 0.65 -0.09 0.20 0.47 0.24 0.00 0.00 174.94 176.41 2cr7 n ASP 47 N -1.03 2.01 0.02 4.36 8.00 -1.26 -4.58 116.55 124.07 2cr7 n ASP 47 Ca -0.03 -2.04 -0.14 0.00 0.71 0.00 0.00 54.79 53.29 2cr7 n ASP 47 Cb 0.64 -0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.66 2cr7 n ASP 47 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2cr7 h THR 48 N 0.64 0.07 0.00 -3.53 2.02 -2.01 -0.18 112.91 109.92 2cr7 h THR 48 Ca -0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2cr7 h THR 48 Cb 0.69 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2cr7 h THR 48 CO 0.30 0.00 0.00 1.55 0.37 0.00 0.00 175.52 177.74 2cr7 h PRO 49 N -0.57 0.00 -0.30 6.66 0.13 -2.01 -3.07 132.00 132.84 2cr7 h PRO 49 Ca 0.05 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.00 2cr7 h PRO 49 Cb 0.67 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 2cr7 h PRO 49 CO -0.39 0.00 -0.50 0.78 -0.23 0.00 0.00 178.00 177.65 2cr7 h GLY 50 N 2.13 0.95 2.00 1.56 0.00 -1.41 -2.79 103.07 105.51 2cr7 h GLY 50 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 47.33 46.24 2cr7 h GLY 50 CO 0.00 0.97 0.00 -0.24 0.00 0.00 0.00 176.54 177.27 2cr7 h VAL 51 N 0.65 0.00 0.01 4.60 3.04 -1.31 -3.19 116.25 120.05 2cr7 h VAL 51 Ca 0.02 -0.48 -0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2cr7 h VAL 51 Cb 1.11 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 2cr7 h VAL 51 CO 0.11 0.00 -0.00 0.40 -1.01 0.00 0.00 177.57 177.07 2cr7 h ILE 52 N 0.00 1.61 -0.98 3.17 2.04 -1.59 -3.00 117.51 118.76 2cr7 h ILE 52 Ca 0.00 -2.10 0.20 0.00 1.00 0.00 0.00 64.86 63.96 2cr7 h ILE 52 Cb 0.53 2.99 -0.11 0.00 -0.74 0.00 0.00 36.82 39.49 2cr7 h ILE 52 CO 0.00 0.53 0.58 -0.09 0.00 0.00 0.00 178.15 179.17 2cr7 h ARG 53 N -0.94 0.68 0.19 2.37 2.43 -1.49 -1.18 114.38 116.44 2cr7 h ARG 53 Ca -0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2cr7 h ARG 53 Cb 0.87 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2cr7 h ARG 53 CO 0.00 0.45 -0.09 0.00 -1.51 0.00 0.00 179.97 178.82 2cr7 h ARG 54 N 0.70 -0.24 -1.00 0.20 2.47 -1.65 -3.20 114.38 111.66 2cr7 h ARG 54 Ca 0.58 0.02 0.16 0.00 -1.26 0.00 0.00 59.98 59.48 2cr7 h ARG 54 Cb 0.94 0.05 -0.17 0.00 -1.65 0.00 0.00 29.97 29.14 2cr7 h ARG 54 CO -0.40 -0.16 -0.36 0.28 0.56 0.00 0.00 179.97 179.88 2cr7 n VAL 55 N -2.90 -0.51 -0.32 2.04 0.31 -1.08 0.58 118.33 116.45 2cr7 n VAL 55 Ca -0.03 2.33 0.18 0.00 -0.01 0.00 0.00 64.34 66.82 2cr7 n VAL 55 Cb 0.10 -3.11 0.36 0.00 -0.91 0.00 0.00 33.84 30.28 2cr7 n VAL 55 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2cr7 h SER 56 N 0.00 -0.13 -0.29 4.52 0.02 -1.29 0.56 113.55 116.95 2cr7 h SER 56 Ca 0.37 0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 61.49 2cr7 h SER 56 Cb 0.62 0.36 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2cr7 h SER 56 CO -1.00 -0.31 -0.13 1.56 -1.14 0.00 0.00 176.83 175.81 2cr7 h GLN 57 N 0.08 0.60 -0.61 3.45 4.20 0.15 -2.22 115.11 120.75 2cr7 h GLN 57 Ca 0.65 -0.26 0.08 0.00 0.06 0.00 0.00 58.65 59.18 2cr7 h GLN 57 Cb 1.44 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 29.14 2cr7 h GLN 57 CO -0.80 0.83 0.27 1.25 -0.67 0.00 0.00 178.83 179.70 2cr7 h LEU 58 N 0.35 0.32 -3.96 1.46 5.85 0.60 -1.57 115.31 118.35 2cr7 h LEU 58 Ca 0.07 0.06 -0.62 0.00 0.84 0.00 0.00 57.88 58.23 2cr7 h LEU 58 Cb 0.64 0.02 -0.30 0.00 0.37 0.00 0.00 40.66 41.39 2cr7 h LEU 58 CO 0.04 0.20 0.68 0.49 -0.34 0.00 0.00 178.44 179.51 2cr7 n PHE 59 N -4.94 3.10 -0.32 1.25 3.72 -0.24 -4.64 117.46 115.39 2cr7 n PHE 59 Ca 0.08 -2.70 0.03 0.00 -0.05 0.00 0.00 57.45 54.81 2cr7 n PHE 59 Cb 0.24 -1.25 0.22 0.00 -0.94 0.00 0.00 39.48 37.75 2cr7 n PHE 59 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 2cr7 h HIS 60 N 1.79 1.09 -0.00 1.38 2.07 -0.63 0.87 115.15 121.71 2cr7 h HIS 60 Ca 0.59 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 58.13 2cr7 h HIS 60 Cb 1.29 -0.36 0.00 0.00 2.57 0.00 0.00 27.41 30.91 2cr7 h HIS 60 CO 1.42 0.59 -0.07 0.39 -3.07 0.00 0.00 177.93 177.18 2cr7 n GLU 61 N -4.48 0.77 -3.73 5.12 1.02 -1.26 -4.43 120.64 113.65 2cr7 n GLU 61 Ca 0.14 -0.22 -0.29 0.00 -0.02 0.00 0.00 57.16 56.76 2cr7 n GLU 61 Cb 0.17 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.97 2cr7 n GLU 61 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2cr7 s HIS 62 N -2.38 2.25 0.21 -0.32 3.76 0.30 -4.96 115.29 114.16 2cr7 s HIS 62 Ca 0.32 -2.63 -0.02 0.00 -0.15 0.00 0.00 55.06 52.58 2cr7 s HIS 62 Cb 0.20 -2.01 0.18 0.00 1.11 0.00 0.00 32.58 32.07 2cr7 s HIS 62 CO 0.45 -0.75 1.57 -1.00 -0.85 0.00 0.00 174.74 174.16 2cr7 h PRO 63 N 6.39 0.58 -0.95 8.40 0.13 -1.77 -2.81 132.00 141.96 2cr7 h PRO 63 Ca 0.04 -0.31 0.07 0.00 -0.87 0.00 0.00 66.00 64.93 2cr7 h PRO 63 Cb 0.90 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.97 2cr7 h PRO 63 CO 0.53 0.90 0.62 0.22 -0.23 0.00 0.00 178.00 180.03 2cr7 h ASP 64 N 0.47 0.95 0.10 1.44 3.58 -1.92 -2.50 116.42 118.54 2cr7 h ASP 64 Ca 0.04 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2cr7 h ASP 64 Cb 0.94 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2cr7 h ASP 64 CO 0.08 0.59 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.92 2cr7 h LEU 65 N 1.06 -0.12 -1.39 2.28 3.38 -1.90 -2.97 115.31 115.66 2cr7 h LEU 65 Ca 0.42 -0.46 0.40 0.00 0.09 0.00 0.00 57.88 58.33 2cr7 h LEU 65 Cb 0.24 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.90 2cr7 h LEU 65 CO -0.17 0.47 0.80 0.40 0.09 0.00 0.00 178.44 180.03 2cr7 h ILE 66 N -0.78 0.21 -0.04 1.22 2.04 -1.26 1.07 117.51 119.97 2cr7 h ILE 66 Ca -0.01 -0.05 -0.21 0.00 1.00 0.00 0.00 64.86 65.58 2cr7 h ILE 66 Cb 0.57 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2cr7 h ILE 66 CO 0.02 0.03 -0.85 0.58 0.00 0.00 0.00 178.15 177.93 2cr7 h VAL 67 N 0.15 1.38 -0.66 1.67 2.07 -1.46 -3.27 116.25 116.14 2cr7 h VAL 67 Ca 0.77 -2.29 -0.05 0.00 0.82 0.00 0.00 66.70 65.95 2cr7 h VAL 67 Cb 2.32 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 34.33 2cr7 h VAL 67 CO -0.39 0.69 0.23 1.23 0.02 0.00 0.00 177.57 179.35 2cr7 h GLY 68 N 1.19 1.07 -0.96 2.17 0.00 0.13 -3.12 103.07 103.55 2cr7 h GLY 68 Ca -0.06 -0.61 0.15 0.00 0.00 0.00 0.00 47.33 46.81 2cr7 h GLY 68 CO 0.15 0.58 -0.36 0.33 0.00 0.00 0.00 176.54 177.24 2cr7 n PHE 69 N -4.38 0.07 -0.15 5.60 7.35 -0.66 0.02 117.46 125.31 2cr7 n PHE 69 Ca 0.04 1.19 -0.05 0.00 -0.76 0.00 0.00 57.45 57.87 2cr7 n PHE 69 Cb 0.20 -0.89 0.01 0.00 0.35 0.00 0.00 39.48 39.15 2cr7 n PHE 69 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 2cr7 h ASN 70 N 0.00 -0.96 -0.38 -2.13 2.35 -1.71 0.51 115.58 113.25 2cr7 h ASN 70 Ca 0.35 0.20 0.11 0.00 -0.55 0.00 0.00 56.30 56.41 2cr7 h ASN 70 Cb 0.59 0.49 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 2cr7 h ASN 70 CO -0.96 -0.29 0.79 0.00 -1.65 0.00 0.00 177.43 175.32 2cr7 h ALA 71 N 1.02 2.15 0.06 -0.83 0.00 -0.53 -1.83 119.26 119.29 2cr7 h ALA 71 Ca 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2cr7 h ALA 71 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2cr7 h ALA 71 CO -0.58 -0.98 -0.03 0.35 0.00 0.00 0.00 179.25 178.00 2cr7 h PHE 72 N 0.00 -0.07 -2.06 0.00 3.04 0.14 -3.43 116.94 114.57 2cr7 h PHE 72 Ca 0.18 -0.00 -0.60 0.00 3.98 0.00 0.00 57.97 61.53 2cr7 h PHE 72 Cb 1.75 0.02 0.02 0.00 2.56 0.00 0.00 35.95 40.30 2cr7 h PHE 72 CO 0.00 -0.04 1.18 1.28 -2.02 0.00 0.00 178.31 178.71 2cr7 n LEU 73 N -2.27 3.56 -4.58 0.59 4.77 -0.69 -4.22 117.00 114.16 2cr7 n LEU 73 Ca -0.01 0.87 -0.28 0.00 -0.03 0.00 0.00 56.01 56.57 2cr7 n LEU 73 Cb 0.03 -1.42 -0.06 0.00 -2.33 0.00 0.00 43.42 39.64 2cr7 n LEU 73 CO 0.02 -0.06 1.48 -2.16 -1.33 0.00 0.00 177.39 175.34 2cr7 s PRO 74 N 4.46 2.51 -0.74 3.23 0.04 -1.26 -4.75 135.00 138.49 2cr7 s PRO 74 Ca 0.93 -1.01 -0.24 0.00 0.04 0.00 0.00 61.00 60.72 2cr7 s PRO 74 Cb -0.61 -5.21 -0.15 0.00 0.04 0.00 0.00 34.50 28.57 2cr7 s PRO 74 CO 0.48 -3.87 2.41 0.45 0.04 0.00 0.00 177.00 176.51 2cr7 n SER 75 N 14.31 1.48 -4.89 6.66 2.88 -1.26 -4.91 113.62 127.89 2cr7 n SER 75 Ca 0.44 -0.96 -0.26 0.00 -1.33 0.00 0.00 58.87 56.76 2cr7 n SER 75 Cb 0.47 -1.46 0.07 0.00 -0.75 0.00 0.00 64.21 62.54 2cr7 n SER 75 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr7 s GLY 76 N 9.96 1.70 0.26 0.46 0.00 -1.26 -4.67 107.32 113.77 2cr7 s GLY 76 Ca 1.02 -0.97 -0.29 0.00 0.00 0.00 0.00 44.72 44.47 2cr7 s GLY 76 CO 0.22 -0.55 1.26 2.56 0.00 0.00 0.00 173.10 176.59 2cr7 s PRO 77 N -5.26 4.43 0.15 2.90 0.04 -1.26 -5.01 135.00 131.00 2cr7 s PRO 77 Ca 0.61 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 63.42 2cr7 s PRO 77 Cb -0.10 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 31.22 2cr7 s PRO 77 CO 0.45 -0.13 0.88 -1.54 0.04 0.00 0.00 177.00 176.70 2cr7 s SER 78 N -0.21 7.47 -0.66 6.66 1.04 -1.26 -4.91 113.70 121.82 2cr7 s SER 78 Ca 0.51 1.74 -0.36 0.00 0.48 0.00 0.00 55.95 58.33 2cr7 s SER 78 Cb -0.37 -2.55 -0.18 0.00 0.10 0.00 0.00 66.02 63.02 2cr7 s SER 78 CO 0.44 0.08 2.39 -1.54 0.98 0.00 0.00 173.24 175.58 2cr7 n SER 79 N 2.15 0.98 0.00 7.02 3.41 -1.26 -5.35 113.62 120.57 2cr7 n SER 79 Ca -0.02 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2cr7 n SER 79 Cb 0.49 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2cr7 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49