#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 3.74 0.02 1.61 1.04 -1.26 -4.78 113.70 114.07 2cr7 s SER 2 Ca 0.00 -0.19 -0.20 0.00 0.48 0.00 0.00 55.95 56.04 2cr7 s SER 2 Cb 0.00 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.45 2cr7 s SER 2 CO 0.00 -4.14 1.12 -1.28 0.98 0.00 0.00 173.24 169.92 2cr7 h SER 3 N 12.45 -0.62 -2.02 7.02 0.87 -2.08 -3.43 113.55 125.74 2cr7 h SER 3 Ca 0.00 0.02 -0.39 0.00 -1.23 0.00 0.00 61.79 60.19 2cr7 h SER 3 Cb 1.00 0.16 -0.32 0.00 -0.44 0.00 0.00 62.40 62.80 2cr7 h SER 3 CO 1.00 -0.38 -0.70 -0.83 -0.53 0.00 0.00 176.83 175.38 2cr7 s GLY 4 N -1.91 0.07 0.82 5.77 0.00 -1.26 -5.07 107.32 105.75 2cr7 s GLY 4 Ca -0.11 -1.07 -0.16 0.00 0.00 0.00 0.00 44.72 43.38 2cr7 s GLY 4 CO 0.32 2.66 0.06 1.44 0.00 0.00 0.00 173.10 177.58 2cr7 n SER 5 N 4.23 -3.03 -4.77 1.64 7.64 -1.26 -4.89 113.62 113.19 2cr7 n SER 5 Ca 0.11 0.43 -0.37 0.00 1.01 0.00 0.00 58.87 60.05 2cr7 n SER 5 Cb 0.44 -1.05 0.01 0.00 -1.01 0.00 0.00 64.21 62.60 2cr7 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr7 s SER 6 N -1.42 5.80 -0.83 6.43 0.01 -1.26 -3.93 113.70 118.49 2cr7 s SER 6 Ca 0.55 2.36 -0.03 0.00 1.31 0.00 0.00 55.95 60.15 2cr7 s SER 6 Cb -0.29 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.34 2cr7 s SER 6 CO 0.68 -1.17 0.66 0.61 0.41 0.00 0.00 173.24 174.42 2cr7 n GLY 7 N 0.45 -1.25 3.66 3.44 0.00 -1.26 -4.85 105.19 105.37 2cr7 n GLY 7 Ca 0.10 0.54 -0.40 0.00 0.00 0.00 0.00 46.02 46.25 2cr7 n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2cr7 n VAL 8 N -2.51 2.78 -1.82 1.61 0.24 -1.25 -4.99 118.33 112.38 2cr7 n VAL 8 Ca -0.18 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.32 2cr7 n VAL 8 Cb 0.61 -1.37 0.17 0.00 -1.47 0.00 0.00 33.84 31.79 2cr7 n VAL 8 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2cr7 s HIS 9 N -1.28 1.77 -0.57 6.34 5.65 -1.26 -4.87 115.29 121.08 2cr7 s HIS 9 Ca 0.65 0.44 0.01 0.00 0.25 0.00 0.00 55.06 56.41 2cr7 s HIS 9 Cb -0.51 -3.91 0.43 0.00 -1.18 0.00 0.00 32.58 27.41 2cr7 s HIS 9 CO 0.55 -2.60 1.67 1.55 -0.65 0.00 0.00 174.74 175.25 2cr7 n VAL 10 N -3.79 3.14 -0.11 0.89 3.14 -1.26 -4.54 118.33 115.80 2cr7 n VAL 10 Ca 0.13 -3.88 -0.15 0.00 -2.96 0.00 0.00 64.34 57.49 2cr7 n VAL 10 Cb 0.60 -1.19 -0.12 0.00 -1.06 0.00 0.00 33.84 32.06 2cr7 n VAL 10 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2cr7 n GLU 11 N -0.71 0.70 -4.72 1.45 0.00 -1.26 -4.96 120.64 111.13 2cr7 n GLU 11 Ca 0.52 0.09 -0.33 0.00 0.00 0.00 0.00 57.16 57.44 2cr7 n GLU 11 Cb 0.65 -1.49 -0.12 0.00 0.00 0.00 0.00 31.44 30.48 2cr7 n GLU 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 2cr7 s ASP 12 N -6.05 4.43 0.00 4.31 -4.77 -1.26 -4.99 116.67 108.34 2cr7 s ASP 12 Ca -0.26 -0.08 0.00 0.00 -3.30 0.00 0.00 52.55 48.91 2cr7 s ASP 12 Cb 0.08 -1.06 0.00 0.00 -1.09 0.00 0.00 42.92 40.85 2cr7 s ASP 12 CO 0.63 0.36 0.00 0.00 0.70 0.00 0.00 175.17 176.86 2cr7 n ALA 13 N 2.25 2.05 0.34 2.11 0.00 -1.26 -4.78 120.51 121.22 2cr7 n ALA 13 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 2cr7 n ALA 13 Cb 0.53 0.22 0.04 0.00 0.00 0.00 0.00 19.45 20.23 2cr7 n ALA 13 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2cr7 n LEU 14 N -1.98 4.12 -0.01 0.00 -0.00 -1.26 -4.26 117.00 113.61 2cr7 n LEU 14 Ca 0.00 -2.09 -0.01 0.00 -0.00 0.00 0.00 56.01 53.91 2cr7 n LEU 14 Cb 0.22 -0.65 -0.01 0.00 -0.00 0.00 0.00 43.42 42.98 2cr7 n LEU 14 CO 0.00 0.69 0.04 0.74 -0.00 0.00 0.00 177.39 178.86 2cr7 h THR 15 N 0.33 0.00 0.00 1.47 2.02 -2.01 -2.94 112.91 111.79 2cr7 h THR 15 Ca 0.14 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2cr7 h THR 15 Cb 1.35 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2cr7 h THR 15 CO 0.26 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.15 2cr7 n TYR 16 N -4.43 0.03 0.03 3.16 4.19 -1.26 -2.31 117.16 116.57 2cr7 n TYR 16 Ca -0.01 0.01 -0.12 0.00 3.31 0.00 0.00 57.90 61.09 2cr7 n TYR 16 Cb 0.03 -0.52 -0.14 0.00 0.49 0.00 0.00 39.34 39.21 2cr7 n TYR 16 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 2cr7 h LEU 17 N 0.00 0.15 -0.14 2.98 7.12 -1.80 -3.29 115.31 120.34 2cr7 h LEU 17 Ca 0.00 -0.24 -0.05 0.00 0.13 0.00 0.00 57.88 57.73 2cr7 h LEU 17 Cb 0.25 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2cr7 h LEU 17 CO 0.00 1.20 -0.10 -0.78 -0.13 0.00 0.00 178.44 178.63 2cr7 h ASP 18 N 0.03 0.33 0.02 1.25 1.82 -1.26 -2.39 116.42 116.21 2cr7 h ASP 18 Ca -0.21 -0.45 0.03 0.00 -0.39 0.00 0.00 57.03 56.01 2cr7 h ASP 18 Cb 1.95 -0.09 -0.05 0.00 0.68 0.00 0.00 39.33 41.82 2cr7 h ASP 18 CO 0.12 0.71 -0.31 0.06 -1.61 0.00 0.00 179.24 178.21 2cr7 h GLN 19 N -0.05 -0.45 -0.94 0.28 3.07 -1.70 -1.47 115.11 113.85 2cr7 h GLN 19 Ca 0.03 0.03 0.06 0.00 0.09 0.00 0.00 58.65 58.86 2cr7 h GLN 19 Cb 0.60 0.10 -0.06 0.00 0.08 0.00 0.00 27.48 28.20 2cr7 h GLN 19 CO 0.03 -0.30 0.61 -0.24 0.09 0.00 0.00 178.83 179.02 2cr7 h VAL 20 N -0.47 1.08 -0.73 1.86 3.04 -1.63 -1.06 116.25 118.33 2cr7 h VAL 20 Ca 0.06 -0.37 0.03 0.00 -1.01 0.00 0.00 66.70 65.40 2cr7 h VAL 20 Cb 0.54 -0.10 -0.04 0.00 -2.01 0.00 0.00 31.29 29.69 2cr7 h VAL 20 CO -0.25 0.20 0.48 0.50 -1.01 0.00 0.00 177.57 177.50 2cr7 h LYS 21 N 1.08 0.90 0.02 4.17 3.64 -0.78 -1.45 116.57 124.14 2cr7 h LYS 21 Ca 0.40 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2cr7 h LYS 21 Cb 0.18 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2cr7 h LYS 21 CO -0.15 0.59 -0.01 0.82 -2.27 0.00 0.00 179.45 178.43 2cr7 h ILE 22 N 0.92 0.00 -0.97 2.00 2.04 -0.26 -2.90 117.51 118.34 2cr7 h ILE 22 Ca 0.29 -0.07 0.39 0.00 1.00 0.00 0.00 64.86 66.46 2cr7 h ILE 22 Cb 0.00 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 35.91 2cr7 h ILE 22 CO -0.08 0.00 0.46 -1.14 0.00 0.00 0.00 178.15 177.40 2cr7 n ARG 23 N -2.27 -0.06 -2.47 2.37 3.00 -0.54 0.28 116.66 116.97 2cr7 n ARG 23 Ca -0.00 1.35 -0.33 0.00 -0.00 0.00 0.00 57.85 58.86 2cr7 n ARG 23 Cb 0.01 -2.39 0.01 0.00 0.00 0.00 0.00 32.46 30.09 2cr7 n ARG 23 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2cr7 n PHE 24 N -5.21 3.31 -0.01 -0.14 3.01 -0.55 -4.77 117.46 113.10 2cr7 n PHE 24 Ca 0.35 -2.99 -0.16 0.00 1.01 0.00 0.00 57.45 55.66 2cr7 n PHE 24 Cb 1.19 -0.71 -0.12 0.00 -0.01 0.00 0.00 39.48 39.83 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 3.14 0.25 -2.01 1.37 0.00 0.04 -3.29 103.07 102.57 2cr7 h GLY 25 Ca 0.38 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2cr7 h GLY 25 CO 1.07 0.42 0.00 1.44 0.00 0.00 0.00 176.54 179.47 2cr7 n SER 26 N -4.40 2.95 -4.17 0.19 7.64 -1.26 -4.64 113.62 109.92 2cr7 n SER 26 Ca -0.10 -1.99 -0.39 0.00 1.01 0.00 0.00 58.87 57.40 2cr7 n SER 26 Cb 0.58 -0.36 -0.05 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.04 6.35 0.25 6.43 1.11 -1.24 -4.87 116.67 123.66 2cr7 s ASP 27 Ca 0.37 -3.65 0.02 0.00 0.18 0.00 0.00 52.55 49.47 2cr7 s ASP 27 Cb 0.19 -1.99 0.30 0.00 1.07 0.00 0.00 42.92 42.49 2cr7 s ASP 27 CO 0.26 -0.22 1.62 1.55 1.18 0.00 0.00 175.17 179.55 2cr7 h PRO 28 N 6.24 0.40 -0.14 8.23 0.13 -1.83 -1.82 132.00 143.22 2cr7 h PRO 28 Ca 0.16 -0.21 0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2cr7 h PRO 28 Cb 0.84 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2cr7 h PRO 28 CO 0.89 0.77 0.07 0.00 -0.23 0.00 0.00 178.00 179.50 2cr7 h ALA 29 N 1.20 0.17 0.07 -0.56 0.00 -1.97 0.19 119.26 118.35 2cr7 h ALA 29 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2cr7 h ALA 29 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2cr7 h ALA 29 CO 0.08 -0.37 -0.03 1.15 0.00 0.00 0.00 179.25 180.08 2cr7 h THR 30 N 0.15 1.24 -0.90 0.00 2.02 -1.96 -3.08 112.91 110.37 2cr7 h THR 30 Ca 0.06 -1.29 0.13 0.00 0.77 0.00 0.00 66.41 66.08 2cr7 h THR 30 Cb 0.01 2.04 -0.07 0.00 -1.74 0.00 0.00 68.15 68.39 2cr7 h THR 30 CO -0.04 0.31 0.58 0.22 0.37 0.00 0.00 175.52 176.96 2cr7 h TYR 31 N -0.70 0.90 0.25 3.16 3.20 -1.32 -2.15 116.97 120.32 2cr7 h TYR 31 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2cr7 h TYR 31 Cb 0.57 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2cr7 h TYR 31 CO 0.12 0.36 -0.17 -0.91 -1.64 0.00 0.00 178.16 175.91 2cr7 h ASN 32 N 0.78 -0.44 -0.69 -2.11 2.35 -0.64 -2.75 115.58 112.07 2cr7 h ASN 32 Ca 0.44 0.03 0.15 0.00 -0.55 0.00 0.00 56.30 56.37 2cr7 h ASN 32 Cb 0.60 0.14 -0.12 0.00 0.05 0.00 0.00 38.32 38.99 2cr7 h ASN 32 CO -0.20 -0.28 0.02 1.23 -1.65 0.00 0.00 177.43 176.55 2cr7 h GLY 33 N -0.43 0.77 0.47 2.83 0.00 -1.30 -0.56 103.07 104.87 2cr7 h GLY 33 Ca -0.02 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.46 2cr7 h GLY 33 CO 0.01 -0.24 0.03 -2.75 0.00 0.00 0.00 176.54 173.59 2cr7 h PHE 34 N 0.12 0.04 -0.42 5.60 3.57 -1.36 -2.05 116.94 122.44 2cr7 h PHE 34 Ca 0.37 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.95 2cr7 h PHE 34 Cb 0.63 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 2cr7 h PHE 34 CO -0.38 -0.03 0.15 -0.07 -2.23 0.00 0.00 178.31 175.75 2cr7 h LEU 35 N 0.14 0.16 -1.00 0.59 3.38 -0.85 -1.64 115.31 116.09 2cr7 h LEU 35 Ca 0.18 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.31 2cr7 h LEU 35 Cb 0.23 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 2cr7 h LEU 35 CO -0.27 0.13 0.63 -0.33 0.09 0.00 0.00 178.44 178.69 2cr7 h GLU 36 N 0.32 0.98 -0.67 1.13 5.08 -0.68 -0.77 114.58 119.97 2cr7 h GLU 36 Ca 0.20 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2cr7 h GLU 36 Cb 0.18 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2cr7 h GLU 36 CO -0.20 0.65 0.22 0.82 -1.00 0.00 0.00 179.01 179.50 2cr7 h ILE 37 N 1.01 1.24 -0.14 3.13 2.04 -0.66 -2.96 117.51 121.17 2cr7 h ILE 37 Ca 0.49 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2cr7 h ILE 37 Cb 0.47 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2cr7 h ILE 37 CO -0.26 0.33 0.09 0.24 0.00 0.00 0.00 178.15 178.54 2cr7 h MET 38 N 0.99 0.19 -0.97 2.37 2.86 -0.62 -2.77 114.93 116.98 2cr7 h MET 38 Ca 0.22 -0.01 0.26 0.00 -2.06 0.00 0.00 59.70 58.11 2cr7 h MET 38 Cb 0.27 -0.04 -0.18 0.00 0.06 0.00 0.00 31.60 31.71 2cr7 h MET 38 CO -0.01 0.13 0.01 0.87 1.06 0.00 0.00 176.91 178.98 2cr7 h LYS 39 N 0.18 0.02 -0.31 1.72 1.57 -1.28 0.61 116.57 119.08 2cr7 h LYS 39 Ca 0.05 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2cr7 h LYS 39 Cb -0.01 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2cr7 h LYS 39 CO -0.01 0.01 0.12 0.93 -0.57 0.00 0.00 179.45 179.93 2cr7 h GLU 40 N 0.02 0.25 -0.14 3.15 4.39 -1.55 0.68 114.58 121.38 2cr7 h GLU 40 Ca 0.58 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 60.19 2cr7 h GLU 40 Cb 1.16 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 2cr7 h GLU 40 CO -0.90 0.17 -0.22 0.35 -1.16 0.00 0.00 179.01 177.24 2cr7 h PHE 41 N 0.26 0.26 0.00 4.33 3.57 0.07 -0.71 116.94 124.72 2cr7 h PHE 41 Ca 0.14 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2cr7 h PHE 41 Cb 0.10 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 2cr7 h PHE 41 CO -0.13 0.46 -0.11 -0.22 -2.23 0.00 0.00 178.31 176.07 2cr7 h LYS 42 N 0.22 0.00 -0.63 1.11 3.64 0.20 -2.99 116.57 118.12 2cr7 h LYS 42 Ca 0.04 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 2cr7 h LYS 42 Cb 0.52 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 2cr7 h LYS 42 CO 0.04 0.11 0.09 0.45 -2.27 0.00 0.00 179.45 177.87 2cr7 n SER 43 N -3.17 5.48 -1.92 4.20 2.88 0.15 -4.90 113.62 116.34 2cr7 n SER 43 Ca 0.02 -3.03 -0.08 0.00 -1.33 0.00 0.00 58.87 54.45 2cr7 n SER 43 Cb 0.48 -0.71 -0.02 0.00 -0.75 0.00 0.00 64.21 63.21 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 0.37 -1.92 -0.05 -1.46 6.02 -1.12 -4.80 117.38 114.43 2cr7 n GLN 44 Ca 0.32 0.42 -0.12 0.00 -0.01 0.00 0.00 57.00 57.61 2cr7 n GLN 44 Cb 1.27 -4.80 -0.11 0.00 1.02 0.00 0.00 30.24 27.62 2cr7 n GLN 44 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2cr7 h SER 45 N 0.00 -0.02 -1.24 1.08 0.87 -1.40 -3.47 113.55 109.37 2cr7 h SER 45 Ca -0.18 -0.76 -0.47 0.00 -1.23 0.00 0.00 61.79 59.15 2cr7 h SER 45 Cb 0.86 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2cr7 h SER 45 CO 0.23 0.82 -0.27 0.27 -0.53 0.00 0.00 176.83 177.35 2cr7 s ILE 46 N -2.50 2.57 0.53 2.23 -4.36 -1.21 -5.03 121.20 113.43 2cr7 s ILE 46 Ca -0.16 -1.16 0.06 0.00 -0.26 0.00 0.00 60.65 59.13 2cr7 s ILE 46 Cb -0.02 -2.73 0.03 0.00 1.25 0.00 0.00 42.46 41.00 2cr7 s ILE 46 CO 0.59 0.00 0.43 -1.81 0.24 0.00 0.00 174.94 174.39 2cr7 s ASP 47 N -4.34 4.71 0.13 4.36 1.01 -1.26 -4.75 116.67 116.53 2cr7 s ASP 47 Ca 0.52 -1.15 -0.32 0.00 0.71 0.00 0.00 52.55 52.31 2cr7 s ASP 47 Cb -0.06 0.27 -0.10 0.00 1.01 0.00 0.00 42.92 44.04 2cr7 s ASP 47 CO 0.31 -1.06 1.56 0.74 0.21 0.00 0.00 175.17 176.94 2cr7 h THR 48 N 0.75 0.05 0.00 -1.27 2.02 -2.00 0.23 112.91 112.68 2cr7 h THR 48 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2cr7 h THR 48 Cb 1.30 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2cr7 h THR 48 CO 0.56 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.64 2cr7 n PRO 49 N -5.43 0.36 0.06 6.66 -0.04 -1.26 -2.37 135.00 132.97 2cr7 n PRO 49 Ca -0.05 0.07 0.06 0.00 -0.04 0.00 0.00 63.50 63.53 2cr7 n PRO 49 Cb 0.37 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 2cr7 n PRO 49 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cr7 n GLY 50 N -0.02 -1.30 0.09 0.55 0.00 0.76 -3.88 105.19 101.40 2cr7 n GLY 50 Ca 0.10 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.01 2cr7 n GLY 50 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2cr7 n VAL 51 N -2.74 0.53 0.06 1.61 3.14 -0.92 -4.09 118.33 115.91 2cr7 n VAL 51 Ca -0.06 -0.55 -0.12 0.00 -2.96 0.00 0.00 64.34 60.66 2cr7 n VAL 51 Cb 0.70 -0.29 -0.01 0.00 -1.06 0.00 0.00 33.84 33.18 2cr7 n VAL 51 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2cr7 h ILE 52 N 0.00 1.39 -0.12 1.55 2.04 -1.69 -2.88 117.51 117.79 2cr7 h ILE 52 Ca -0.01 -2.30 -0.04 0.00 1.00 0.00 0.00 64.86 63.51 2cr7 h ILE 52 Cb 1.03 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 2cr7 h ILE 52 CO 0.00 0.69 -0.12 0.08 0.00 0.00 0.00 178.15 178.80 2cr7 h ARG 53 N 0.26 0.18 0.12 2.37 0.11 -1.71 -1.60 114.38 114.11 2cr7 h ARG 53 Ca -0.05 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 59.98 2cr7 h ARG 53 Cb 1.44 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.50 2cr7 h ARG 53 CO 0.14 0.32 -0.06 0.00 0.10 0.00 0.00 179.97 180.48 2cr7 h ARG 54 N 0.18 -0.15 -1.07 0.08 2.47 -1.71 -3.23 114.38 110.95 2cr7 h ARG 54 Ca 0.04 0.01 0.29 0.00 -1.26 0.00 0.00 59.98 59.06 2cr7 h ARG 54 Cb 0.33 0.03 -0.11 0.00 -1.65 0.00 0.00 29.97 28.58 2cr7 h ARG 54 CO 0.02 -0.10 0.68 0.28 0.56 0.00 0.00 179.97 181.41 2cr7 h VAL 55 N -0.50 0.45 -0.70 2.04 2.07 -1.55 0.52 116.25 118.58 2cr7 h VAL 55 Ca -0.02 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.44 2cr7 h VAL 55 Cb 0.12 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.90 2cr7 h VAL 55 CO 0.03 0.07 0.46 -1.28 0.02 0.00 0.00 177.57 176.87 2cr7 h SER 56 N 0.37 0.65 0.37 0.57 0.87 -1.38 -0.93 113.55 114.06 2cr7 h SER 56 Ca 0.64 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.94 2cr7 h SER 56 Cb 1.64 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 63.47 2cr7 h SER 56 CO -0.36 0.43 -1.15 1.56 -0.53 0.00 0.00 176.83 176.78 2cr7 h GLN 57 N 0.74 0.43 -0.52 2.24 1.08 -0.00 -2.81 115.11 116.28 2cr7 h GLN 57 Ca 0.30 -0.58 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 2cr7 h GLN 57 Cb 0.23 0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 2cr7 h GLN 57 CO -0.10 1.23 0.27 1.25 -0.95 0.00 0.00 178.83 180.54 2cr7 h LEU 58 N 0.19 0.67 -3.94 1.46 5.85 -0.63 -2.84 115.31 116.07 2cr7 h LEU 58 Ca -0.14 -0.11 -0.65 0.00 0.84 0.00 0.00 57.88 57.82 2cr7 h LEU 58 Cb 1.82 -0.17 -0.32 0.00 0.37 0.00 0.00 40.66 42.36 2cr7 h LEU 58 CO 0.20 0.59 0.49 0.49 -0.34 0.00 0.00 178.44 179.87 2cr7 n PHE 59 N -4.61 3.13 0.30 1.25 3.72 -0.43 -4.66 117.46 116.16 2cr7 n PHE 59 Ca 0.02 -2.85 0.17 0.00 -0.05 0.00 0.00 57.45 54.75 2cr7 n PHE 59 Cb 0.10 -1.20 1.00 0.00 -0.94 0.00 0.00 39.48 38.44 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 2.04 0.00 0.00 1.38 2.07 -1.24 0.14 115.15 119.55 2cr7 h HIS 60 Ca 0.55 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.07 2cr7 h HIS 60 Cb 0.98 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.96 2cr7 h HIS 60 CO 1.30 0.00 -0.59 0.39 -3.07 0.00 0.00 177.93 175.96 2cr7 n GLU 61 N -3.61 0.16 -3.89 5.12 1.02 -1.26 -4.52 120.64 113.65 2cr7 n GLU 61 Ca -0.03 0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 2cr7 n GLU 61 Cb 0.10 -1.59 -0.12 0.00 -0.02 0.00 0.00 31.44 29.80 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 -3.10 3.48 0.05 -0.32 3.76 0.49 -4.91 115.29 114.75 2cr7 s HIS 62 Ca 0.08 -3.26 0.33 0.00 -0.15 0.00 0.00 55.06 52.06 2cr7 s HIS 62 Cb 0.15 -2.79 1.37 0.00 1.11 0.00 0.00 32.58 32.42 2cr7 s HIS 62 CO 0.71 -0.62 1.97 -1.00 -0.85 0.00 0.00 174.74 174.95 2cr7 h PRO 63 N 5.80 0.00 0.00 8.40 0.13 -1.80 -2.61 132.00 141.92 2cr7 h PRO 63 Ca 0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.16 2cr7 h PRO 63 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 2cr7 h PRO 63 CO 0.72 0.00 -0.24 -0.44 -0.23 0.00 0.00 178.00 177.81 2cr7 h ASP 64 N 0.00 0.00 0.07 1.44 3.32 -1.91 -3.10 116.42 116.24 2cr7 h ASP 64 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 2cr7 h ASP 64 Cb 0.47 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2cr7 h ASP 64 CO 0.00 0.24 -1.41 -0.07 -1.72 0.00 0.00 179.24 176.28 2cr7 h LEU 65 N 0.00 0.22 -1.46 1.55 3.38 -1.83 -3.20 115.31 113.97 2cr7 h LEU 65 Ca -0.00 -0.75 0.18 0.00 0.09 0.00 0.00 57.88 57.40 2cr7 h LEU 65 Cb 0.91 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 2cr7 h LEU 65 CO 0.03 1.59 0.57 0.40 0.09 0.00 0.00 178.44 181.12 2cr7 h ILE 66 N -0.53 0.74 -0.03 1.22 2.04 -1.58 0.33 117.51 119.70 2cr7 h ILE 66 Ca -0.33 -0.16 -0.26 0.00 1.00 0.00 0.00 64.86 65.10 2cr7 h ILE 66 Cb 1.60 0.22 0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2cr7 h ILE 66 CO -0.05 0.09 -1.00 0.58 0.00 0.00 0.00 178.15 177.78 2cr7 h VAL 67 N 0.48 1.28 -0.48 1.67 2.07 -1.69 -3.31 116.25 116.28 2cr7 h VAL 67 Ca 0.45 -2.19 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 2cr7 h VAL 67 Cb 1.00 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 2cr7 h VAL 67 CO -0.18 0.68 0.10 1.23 0.02 0.00 0.00 177.57 179.43 2cr7 h GLY 68 N 0.42 0.83 -0.98 2.17 0.00 -1.11 -2.10 103.07 102.29 2cr7 h GLY 68 Ca -0.12 -0.53 0.37 0.00 0.00 0.00 0.00 47.33 47.05 2cr7 h GLY 68 CO 0.20 0.50 0.36 -2.75 0.00 0.00 0.00 176.54 174.84 2cr7 h PHE 69 N 0.65 0.52 0.00 5.60 3.57 -1.09 1.21 116.94 127.41 2cr7 h PHE 69 Ca 0.15 0.05 -0.18 0.00 3.53 0.00 0.00 57.97 61.52 2cr7 h PHE 69 Cb 0.35 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 2cr7 h PHE 69 CO 0.02 -0.46 -1.29 -0.91 -2.23 0.00 0.00 178.31 173.45 2cr7 h ASN 70 N 0.01 0.00 -0.65 0.41 2.35 -1.67 -2.94 115.58 113.10 2cr7 h ASN 70 Ca 0.76 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.48 2cr7 h ASN 70 Cb 1.88 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 40.22 2cr7 h ASN 70 CO -0.82 0.66 0.29 0.00 -1.65 0.00 0.00 177.43 175.91 2cr7 h ALA 71 N 1.34 0.83 0.00 -0.83 0.00 0.21 -3.28 119.26 117.53 2cr7 h ALA 71 Ca -0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2cr7 h ALA 71 Cb 1.63 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2cr7 h ALA 71 CO 0.06 0.42 -0.21 0.27 0.00 0.00 0.00 179.25 179.78 2cr7 h PHE 72 N 0.90 0.00 -1.20 0.00 -0.00 -1.00 -3.45 116.94 112.19 2cr7 h PHE 72 Ca 0.22 0.00 -0.75 0.00 -0.00 0.00 0.00 57.97 57.44 2cr7 h PHE 72 Cb 0.15 0.00 0.06 0.00 -0.00 0.00 0.00 35.95 36.16 2cr7 h PHE 72 CO 0.01 0.70 0.10 -0.11 -0.00 0.00 0.00 178.31 179.01 2cr7 n LEU 73 N -4.64 0.32 -4.73 2.10 7.94 -1.11 -4.85 117.00 112.03 2cr7 n LEU 73 Ca -0.10 1.15 -0.42 0.00 -1.11 0.00 0.00 56.01 55.53 2cr7 n LEU 73 Cb 0.35 -1.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.28 2cr7 n LEU 73 CO 0.20 -1.79 1.00 -2.16 -1.11 0.00 0.00 177.39 173.53 2cr7 s PRO 74 N -0.03 4.37 -0.25 1.96 0.04 -1.26 -4.90 135.00 134.94 2cr7 s PRO 74 Ca 0.86 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.96 2cr7 s PRO 74 Cb -1.15 -3.22 -0.18 0.00 0.04 0.00 0.00 34.50 30.00 2cr7 s PRO 74 CO 0.55 -0.30 -0.17 0.43 0.04 0.00 0.00 177.00 177.54 2cr7 n SER 75 N 3.07 1.95 -4.25 6.66 7.64 -1.26 -4.95 113.62 122.48 2cr7 n SER 75 Ca 0.08 -0.10 -0.34 0.00 1.01 0.00 0.00 58.87 59.52 2cr7 n SER 75 Cb 0.43 -0.42 0.14 0.00 -1.01 0.00 0.00 64.21 63.35 2cr7 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr7 n GLY 76 N 2.22 -2.59 0.00 0.23 0.00 -1.26 -4.82 105.19 98.98 2cr7 n GLY 76 Ca -0.44 -0.69 0.07 0.00 0.00 0.00 0.00 46.02 44.96 2cr7 n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr7 n PRO 77 N -1.14 0.04 -0.30 1.61 -0.04 -1.26 -3.76 135.00 130.15 2cr7 n PRO 77 Ca 0.01 0.23 0.15 0.00 -0.04 0.00 0.00 63.50 63.85 2cr7 n PRO 77 Cb 0.62 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.86 2cr7 n PRO 77 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cr7 n SER 78 N -1.46 -0.06 -3.50 3.54 3.41 -1.26 -4.25 113.62 110.04 2cr7 n SER 78 Ca 0.04 1.48 -0.00 0.00 -0.26 0.00 0.00 58.87 60.13 2cr7 n SER 78 Cb 0.16 -0.56 -0.04 0.00 -0.26 0.00 0.00 64.21 63.51 2cr7 n SER 78 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cr7 s SER 79 N -4.96 -1.11 0.00 4.04 0.15 -1.25 -5.18 113.70 105.39 2cr7 s SER 79 Ca -0.11 1.31 0.00 0.00 0.70 0.00 0.00 55.95 57.85 2cr7 s SER 79 Cb 0.26 2.17 0.00 0.00 -1.71 0.00 0.00 66.02 66.74 2cr7 s SER 79 CO 0.68 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.50