#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr7 h SER 2 N 0.00 -1.38 0.00 1.61 0.87 -2.08 -3.35 113.55 109.22 2cr7 h SER 2 Ca 0.00 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2cr7 h SER 2 Cb 0.00 0.45 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2cr7 h SER 2 CO 0.00 -0.66 -0.22 -1.28 -0.53 0.00 0.00 176.83 174.14 2cr7 h SER 3 N -1.01 0.00 -4.01 6.23 0.87 -2.13 -3.47 113.55 110.03 2cr7 h SER 3 Ca -0.06 -0.11 -0.48 0.00 -1.23 0.00 0.00 61.79 59.91 2cr7 h SER 3 Cb 0.87 0.00 0.15 0.00 -0.44 0.00 0.00 62.40 62.98 2cr7 h SER 3 CO -0.06 0.67 0.23 -0.83 -0.53 0.00 0.00 176.83 176.31 2cr7 s GLY 4 N -3.88 1.61 0.15 5.77 0.00 -1.26 -5.07 107.32 104.64 2cr7 s GLY 4 Ca -0.08 -0.07 0.06 0.00 0.00 0.00 0.00 44.72 44.63 2cr7 s GLY 4 CO 0.15 0.44 -0.13 -1.35 0.00 0.00 0.00 173.10 172.22 2cr7 s SER 5 N -3.33 2.06 -0.07 1.64 1.04 -1.26 -1.38 113.70 112.40 2cr7 s SER 5 Ca 0.64 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 56.16 2cr7 s SER 5 Cb -0.19 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 2cr7 s SER 5 CO 0.58 -0.23 -0.19 -0.55 0.98 0.00 0.00 173.24 173.83 2cr7 s SER 6 N -2.96 3.60 0.00 7.02 0.15 -1.26 -4.77 113.70 115.49 2cr7 s SER 6 Ca 0.15 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2cr7 s SER 6 Cb -0.01 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2cr7 s SER 6 CO 0.03 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.34 2cr7 n GLY 7 N 2.90 4.29 3.19 9.45 0.00 -1.26 -5.10 105.19 118.66 2cr7 n GLY 7 Ca -0.18 -1.36 -0.05 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.00 -0.76 -0.16 1.61 1.01 -1.26 -5.04 120.40 113.80 2cr7 s VAL 8 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 2cr7 s VAL 8 Cb 0.00 -0.83 -0.23 0.00 0.00 0.00 0.00 36.38 35.32 2cr7 s VAL 8 CO 0.00 -0.02 0.24 0.00 0.00 0.00 0.00 175.10 175.32 2cr7 n HIS 9 N 5.40 1.03 -0.72 5.22 1.44 -1.26 -4.96 115.22 121.38 2cr7 n HIS 9 Ca -0.06 0.28 -0.29 0.00 -2.01 0.00 0.00 57.72 55.64 2cr7 n HIS 9 Cb 0.50 -1.13 0.22 0.00 0.12 0.00 0.00 29.99 29.71 2cr7 n HIS 9 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 2cr7 s VAL 10 N -2.50 2.08 -0.30 0.61 -7.23 -1.26 -5.06 120.40 106.75 2cr7 s VAL 10 Ca -0.26 0.03 -0.02 0.00 -1.81 0.00 0.00 61.98 59.92 2cr7 s VAL 10 Cb 0.07 -2.19 0.18 0.00 0.56 0.00 0.00 36.38 35.00 2cr7 s VAL 10 CO 0.69 -0.04 0.59 -1.61 -0.31 0.00 0.00 175.10 174.43 2cr7 s GLU 11 N -4.60 0.56 0.34 4.82 8.01 -1.26 -5.17 118.70 121.40 2cr7 s GLU 11 Ca 0.67 1.04 -0.03 0.00 0.01 0.00 0.00 54.97 56.66 2cr7 s GLU 11 Cb -0.23 0.55 0.01 0.00 -4.31 0.00 0.00 34.13 30.15 2cr7 s GLU 11 CO 0.62 -0.57 0.51 -0.25 0.01 0.00 0.00 175.26 175.57 2cr7 n ASP 12 N 5.43 -1.42 0.00 -0.19 8.00 -1.26 -5.12 116.55 121.99 2cr7 n ASP 12 Ca -0.02 -2.77 0.00 0.00 0.71 0.00 0.00 54.79 52.70 2cr7 n ASP 12 Cb 0.51 2.59 0.00 0.00 -0.02 0.00 0.00 41.12 44.20 2cr7 n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cr7 n ALA 13 N -0.78 1.72 -0.42 2.24 0.00 -1.26 -4.69 120.51 117.32 2cr7 n ALA 13 Ca -0.13 -0.10 0.37 0.00 0.00 0.00 0.00 53.44 53.58 2cr7 n ALA 13 Cb 0.56 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.64 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 -2.41 0.23 -0.39 0.00 -0.00 -1.26 -0.84 117.00 112.33 2cr7 n LEU 14 Ca 0.00 1.37 -0.09 0.00 -0.00 0.00 0.00 56.01 57.29 2cr7 n LEU 14 Cb 0.00 -0.67 -0.07 0.00 -0.00 0.00 0.00 43.42 42.68 2cr7 n LEU 14 CO 0.00 -1.50 0.46 0.41 -0.00 0.00 0.00 177.39 176.76 2cr7 n THR 15 N -4.72 -0.61 0.23 1.47 -1.04 -1.26 0.16 114.28 108.50 2cr7 n THR 15 Ca 0.38 2.24 0.10 0.00 -2.04 0.00 0.00 64.05 64.73 2cr7 n THR 15 Cb 1.44 -2.80 0.50 0.00 -1.82 0.00 0.00 70.33 67.64 2cr7 n THR 15 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 2cr7 h TYR 16 N 0.00 0.00 0.40 -1.42 3.20 -1.29 -3.20 116.97 114.66 2cr7 h TYR 16 Ca 0.18 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 2cr7 h TYR 16 Cb 0.41 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.68 2cr7 h TYR 16 CO -0.94 0.23 -0.19 1.25 -1.64 0.00 0.00 178.16 176.87 2cr7 h LEU 17 N 0.00 -0.46 -0.57 2.82 7.12 0.16 -3.16 115.31 121.21 2cr7 h LEU 17 Ca -0.00 -0.10 0.10 0.00 0.13 0.00 0.00 57.88 58.01 2cr7 h LEU 17 Cb 0.68 0.12 -0.11 0.00 -0.53 0.00 0.00 40.66 40.82 2cr7 h LEU 17 CO 0.03 -0.16 -0.38 -0.78 -0.13 0.00 0.00 178.44 177.02 2cr7 h ASP 18 N -0.77 -1.32 -0.71 1.25 3.58 -0.69 -1.78 116.42 115.98 2cr7 h ASP 18 Ca -0.06 0.23 0.07 0.00 0.42 0.00 0.00 57.03 57.70 2cr7 h ASP 18 Cb 0.53 0.62 -0.09 0.00 1.72 0.00 0.00 39.33 42.11 2cr7 h ASP 18 CO 0.09 -0.32 -0.49 1.56 -2.88 0.00 0.00 179.24 177.20 2cr7 h GLN 19 N -0.20 -0.08 -0.46 0.28 1.08 -1.62 0.18 115.11 114.29 2cr7 h GLN 19 Ca 0.20 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.50 2cr7 h GLN 19 Cb 0.56 0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 27.91 2cr7 h GLN 19 CO -0.68 -0.05 -0.25 0.28 -0.95 0.00 0.00 178.83 177.18 2cr7 h VAL 20 N -0.09 0.32 -0.87 -0.54 2.07 -1.31 0.20 116.25 116.03 2cr7 h VAL 20 Ca 0.11 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.85 2cr7 h VAL 20 Cb 0.38 0.32 -0.12 0.00 -1.52 0.00 0.00 31.29 30.34 2cr7 h VAL 20 CO -0.71 0.00 0.34 0.50 0.02 0.00 0.00 177.57 177.72 2cr7 h LYS 21 N -0.15 0.35 -0.12 1.57 3.64 -0.37 0.32 116.57 121.80 2cr7 h LYS 21 Ca 0.21 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 2cr7 h LYS 21 Cb 0.49 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2cr7 h LYS 21 CO -0.55 0.23 -0.32 0.82 -2.27 0.00 0.00 179.45 177.36 2cr7 h ILE 22 N 0.36 1.37 -0.24 2.00 2.04 0.24 -2.88 117.51 120.40 2cr7 h ILE 22 Ca 0.53 -1.62 0.06 0.00 1.00 0.00 0.00 64.86 64.83 2cr7 h ILE 22 Cb 1.00 2.09 -0.06 0.00 -0.74 0.00 0.00 36.82 39.11 2cr7 h ILE 22 CO -0.54 0.48 -0.16 -0.09 0.00 0.00 0.00 178.15 177.84 2cr7 h ARG 23 N 0.03 -0.14 -1.53 2.37 9.65 0.98 -1.94 114.38 123.80 2cr7 h ARG 23 Ca -0.00 0.01 -0.66 0.00 -1.10 0.00 0.00 59.98 58.22 2cr7 h ARG 23 Cb 0.93 0.03 -0.26 0.00 -1.39 0.00 0.00 29.97 29.29 2cr7 h ARG 23 CO 0.07 -0.10 0.86 1.19 2.80 0.00 0.00 179.97 184.79 2cr7 n PHE 24 N -5.32 2.82 -0.05 2.20 3.01 -0.07 -4.64 117.46 115.41 2cr7 n PHE 24 Ca -0.01 -2.56 -0.12 0.00 1.01 0.00 0.00 57.45 55.78 2cr7 n PHE 24 Cb 0.24 -1.30 -0.06 0.00 -0.01 0.00 0.00 39.48 38.34 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 2.62 0.29 0.11 1.37 0.00 -1.12 -3.00 103.07 103.35 2cr7 h GLY 25 Ca 0.54 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2cr7 h GLY 25 CO 1.39 0.21 -0.07 1.44 0.00 0.00 0.00 176.54 179.51 2cr7 n SER 26 N -4.72 1.02 -3.75 0.19 7.64 -1.26 -4.46 113.62 108.27 2cr7 n SER 26 Ca -0.06 -1.15 -0.28 0.00 1.01 0.00 0.00 58.87 58.39 2cr7 n SER 26 Cb 0.24 0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.34 2cr7 n SER 26 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2cr7 s ASP 27 N -2.18 3.81 0.29 6.43 2.15 -1.13 -4.93 116.67 121.10 2cr7 s ASP 27 Ca 0.35 -3.46 0.07 0.00 0.43 0.00 0.00 52.55 49.95 2cr7 s ASP 27 Cb 0.21 -1.27 0.44 0.00 -0.30 0.00 0.00 42.92 42.00 2cr7 s ASP 27 CO 0.40 -0.14 1.68 1.55 -0.17 0.00 0.00 175.17 178.49 2cr7 h PRO 28 N 5.69 0.18 -0.78 4.34 0.13 -1.78 -3.19 132.00 136.58 2cr7 h PRO 28 Ca 0.14 -0.09 0.18 0.00 -0.87 0.00 0.00 66.00 65.36 2cr7 h PRO 28 Cb 0.82 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.83 2cr7 h PRO 28 CO 0.60 0.61 0.15 0.00 -0.23 0.00 0.00 178.00 179.13 2cr7 h ALA 29 N 1.38 1.00 0.24 -0.56 0.00 -1.91 0.73 119.26 120.13 2cr7 h ALA 29 Ca 0.01 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2cr7 h ALA 29 Cb 0.88 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2cr7 h ALA 29 CO 0.07 -0.39 -0.11 1.15 0.00 0.00 0.00 179.25 179.96 2cr7 h THR 30 N 0.21 0.81 -0.45 0.00 2.02 -1.93 -3.15 112.91 110.43 2cr7 h THR 30 Ca 0.45 -0.68 0.09 0.00 0.77 0.00 0.00 66.41 67.04 2cr7 h THR 30 Cb 0.82 1.18 -0.10 0.00 -1.74 0.00 0.00 68.15 68.32 2cr7 h THR 30 CO -0.59 0.14 -0.22 0.22 0.37 0.00 0.00 175.52 175.44 2cr7 h TYR 31 N -0.69 -0.57 -0.59 3.16 3.20 -1.40 -2.07 116.97 118.01 2cr7 h TYR 31 Ca -0.03 0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.96 2cr7 h TYR 31 Cb 0.48 0.32 -0.10 0.00 1.54 0.00 0.00 36.73 38.97 2cr7 h TYR 31 CO 0.03 -0.30 -0.50 -0.91 -1.64 0.00 0.00 178.16 174.84 2cr7 h ASN 32 N -0.13 -1.72 -0.97 -2.11 2.35 -0.92 0.17 115.58 112.24 2cr7 h ASN 32 Ca 0.21 0.26 0.32 0.00 -0.55 0.00 0.00 56.30 56.54 2cr7 h ASN 32 Cb 0.46 0.75 -0.16 0.00 0.05 0.00 0.00 38.32 39.43 2cr7 h ASN 32 CO -0.53 -0.34 0.45 1.23 -1.65 0.00 0.00 177.43 176.58 2cr7 h GLY 33 N -0.25 1.89 0.92 2.83 0.00 -1.33 0.18 103.07 107.30 2cr7 h GLY 33 Ca 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2cr7 h GLY 33 CO -0.70 -0.52 0.01 -2.75 0.00 0.00 0.00 176.54 172.58 2cr7 h PHE 34 N 0.22 0.02 -0.65 5.60 3.57 -0.57 -2.69 116.94 122.44 2cr7 h PHE 34 Ca 0.70 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 62.30 2cr7 h PHE 34 Cb 1.62 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.28 2cr7 h PHE 34 CO -0.10 0.10 0.27 -0.07 -2.23 0.00 0.00 178.31 176.27 2cr7 h LEU 35 N -0.06 0.29 -1.07 0.59 3.38 -0.23 -0.69 115.31 117.53 2cr7 h LEU 35 Ca 0.01 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.14 2cr7 h LEU 35 Cb 0.08 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 2cr7 h LEU 35 CO -0.00 0.17 0.62 -0.33 0.09 0.00 0.00 178.44 178.99 2cr7 h GLU 36 N 0.46 1.01 -0.44 1.13 5.08 -1.15 -1.85 114.58 118.83 2cr7 h GLU 36 Ca 0.33 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2cr7 h GLU 36 Cb 0.40 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2cr7 h GLU 36 CO -0.30 0.67 0.16 0.82 -1.00 0.00 0.00 179.01 179.35 2cr7 h ILE 37 N 1.04 1.21 -0.53 3.13 2.04 -0.82 -2.97 117.51 120.61 2cr7 h ILE 37 Ca 0.44 -0.67 0.09 0.00 1.00 0.00 0.00 64.86 65.73 2cr7 h ILE 37 Cb 0.33 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 2cr7 h ILE 37 CO -0.20 0.24 0.10 0.24 0.00 0.00 0.00 178.15 178.54 2cr7 h MET 38 N 0.57 0.23 -0.32 2.37 2.86 -0.78 -2.36 114.93 117.50 2cr7 h MET 38 Ca 0.14 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 2cr7 h MET 38 Cb 0.22 -0.05 -0.08 0.00 0.06 0.00 0.00 31.60 31.75 2cr7 h MET 38 CO -0.01 0.15 -0.38 0.87 1.06 0.00 0.00 176.91 178.60 2cr7 h LYS 39 N 0.24 -0.33 -0.62 1.72 6.56 -1.33 -0.36 116.57 122.45 2cr7 h LYS 39 Ca 0.27 0.02 0.07 0.00 -1.06 0.00 0.00 60.65 59.95 2cr7 h LYS 39 Cb 0.37 0.08 -0.10 0.00 -0.57 0.00 0.00 32.23 32.01 2cr7 h LYS 39 CO -0.35 -0.22 -0.55 0.93 -2.06 0.00 0.00 179.45 177.20 2cr7 h GLU 40 N -0.34 -0.24 -0.82 3.15 4.39 -1.41 0.49 114.58 119.79 2cr7 h GLU 40 Ca 0.13 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.96 2cr7 h GLU 40 Cb 0.57 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.22 2cr7 h GLU 40 CO -0.50 -0.16 0.54 0.35 -1.16 0.00 0.00 179.01 178.07 2cr7 h PHE 41 N -0.25 0.78 0.00 4.33 3.04 -1.30 0.28 116.94 123.81 2cr7 h PHE 41 Ca 0.12 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 2cr7 h PHE 41 Cb 0.54 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.79 2cr7 h PHE 41 CO -0.82 0.34 -0.15 -0.22 -2.02 0.00 0.00 178.31 175.44 2cr7 h LYS 42 N 0.70 0.00 -0.60 1.11 3.64 0.14 -2.67 116.57 118.88 2cr7 h LYS 42 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2cr7 h LYS 42 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2cr7 h LYS 42 CO -0.16 0.15 0.00 0.43 -2.27 0.00 0.00 179.45 177.60 2cr7 n SER 43 N -3.28 4.72 -2.53 4.20 7.64 0.13 -4.92 113.62 119.58 2cr7 n SER 43 Ca 0.01 -2.51 -0.20 0.00 1.01 0.00 0.00 58.87 57.18 2cr7 n SER 43 Cb 0.41 -0.57 -0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2cr7 n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cr7 n GLN 44 N 0.94 -2.34 0.05 1.43 6.02 -0.64 -4.87 117.38 117.97 2cr7 n GLN 44 Ca 0.25 0.93 -0.18 0.00 -0.01 0.00 0.00 57.00 58.00 2cr7 n GLN 44 Cb 0.90 -5.63 -0.14 0.00 1.02 0.00 0.00 30.24 26.39 2cr7 n GLN 44 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 2cr7 h SER 45 N -0.26 0.39 -0.75 1.08 0.02 -0.97 -3.48 113.55 109.58 2cr7 h SER 45 Ca -0.48 -0.61 -0.66 0.00 -0.84 0.00 0.00 61.79 59.20 2cr7 h SER 45 Cb 1.35 -0.13 -0.13 0.00 0.14 0.00 0.00 62.40 63.63 2cr7 h SER 45 CO 0.55 1.52 -0.51 0.27 -1.14 0.00 0.00 176.83 177.52 2cr7 s ILE 46 N -2.60 1.03 0.46 3.27 -4.36 -1.25 -4.96 121.20 112.79 2cr7 s ILE 46 Ca -0.12 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.30 2cr7 s ILE 46 Cb 0.07 -2.15 -0.01 0.00 1.25 0.00 0.00 42.46 41.61 2cr7 s ILE 46 CO 0.84 0.00 0.08 -1.81 0.24 0.00 0.00 174.94 174.29 2cr7 s ASP 47 N -3.84 3.42 0.15 4.36 1.01 -1.26 -4.70 116.67 115.80 2cr7 s ASP 47 Ca 0.07 -1.70 -0.29 0.00 0.71 0.00 0.00 52.55 51.33 2cr7 s ASP 47 Cb 0.01 0.59 -0.04 0.00 1.01 0.00 0.00 42.92 44.49 2cr7 s ASP 47 CO 0.04 -0.94 1.55 0.74 0.21 0.00 0.00 175.17 176.78 2cr7 h THR 48 N 1.56 0.03 0.00 -1.27 2.02 -2.00 0.77 112.91 114.01 2cr7 h THR 48 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2cr7 h THR 48 Cb 1.30 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2cr7 h THR 48 CO 0.63 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.71 2cr7 n PRO 49 N -5.37 0.18 -0.03 6.66 -0.04 -1.26 -2.57 135.00 132.57 2cr7 n PRO 49 Ca -0.00 0.16 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 2cr7 n PRO 49 Cb 0.33 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 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 -0.04 -1.00 0.19 0.55 0.00 0.25 -3.80 105.19 101.34 2cr7 n GLY 50 Ca 0.06 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.15 2cr7 n GLY 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2cr7 h VAL 51 N 0.00 0.04 -0.04 1.61 3.04 -0.89 -3.26 116.25 116.75 2cr7 h VAL 51 Ca -0.30 -1.06 -0.09 0.00 -1.01 0.00 0.00 66.70 64.23 2cr7 h VAL 51 Cb 2.03 1.88 0.01 0.00 -2.01 0.00 0.00 31.29 33.19 2cr7 h VAL 51 CO 0.08 0.02 -0.35 0.40 -1.01 0.00 0.00 177.57 176.72 2cr7 h ILE 52 N 0.00 1.46 0.51 3.17 2.04 -1.69 -2.93 117.51 120.07 2cr7 h ILE 52 Ca -0.00 -1.84 -0.02 0.00 1.00 0.00 0.00 64.86 64.00 2cr7 h ILE 52 Cb 1.02 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 2cr7 h ILE 52 CO 0.00 0.52 -0.28 -0.09 0.00 0.00 0.00 178.15 178.31 2cr7 h ARG 53 N -0.25 -0.71 -0.82 2.37 9.65 -1.67 0.19 114.38 123.14 2cr7 h ARG 53 Ca -0.03 0.05 0.16 0.00 -1.10 0.00 0.00 59.98 59.06 2cr7 h ARG 53 Cb 1.03 0.16 -0.10 0.00 -1.39 0.00 0.00 29.97 29.67 2cr7 h ARG 53 CO 0.07 -0.47 0.37 0.00 2.80 0.00 0.00 179.97 182.74 2cr7 h ARG 54 N -0.74 0.48 0.37 0.20 3.08 -1.68 -1.65 114.38 114.45 2cr7 h ARG 54 Ca -0.06 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 2cr7 h ARG 54 Cb 0.58 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2cr7 h ARG 54 CO 0.09 0.32 -0.18 0.28 -1.07 0.00 0.00 179.97 179.41 2cr7 h VAL 55 N 0.49 0.53 -0.90 2.04 2.07 -1.29 -2.61 116.25 116.59 2cr7 h VAL 55 Ca 0.47 -0.59 0.23 0.00 0.82 0.00 0.00 66.70 67.63 2cr7 h VAL 55 Cb 0.75 0.78 -0.16 0.00 -1.52 0.00 0.00 31.29 31.14 2cr7 h VAL 55 CO -0.42 0.10 0.06 0.77 0.02 0.00 0.00 177.57 178.10 2cr7 h SER 56 N -0.88 -0.34 -0.53 0.57 4.64 -0.11 0.47 113.55 117.36 2cr7 h SER 56 Ca -0.05 0.24 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 2cr7 h SER 56 Cb 0.54 0.40 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 2cr7 h SER 56 CO 0.08 -0.26 0.20 1.56 -0.87 0.00 0.00 176.83 177.54 2cr7 h GLN 57 N 0.08 0.80 -0.45 4.77 1.08 -1.32 -2.22 115.11 117.85 2cr7 h GLN 57 Ca 0.54 -0.15 0.07 0.00 -1.45 0.00 0.00 58.65 57.66 2cr7 h GLN 57 Cb 1.06 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 28.30 2cr7 h GLN 57 CO -0.79 0.71 0.08 1.25 -0.95 0.00 0.00 178.83 179.13 2cr7 h LEU 58 N 0.72 -0.01 -3.88 1.46 5.85 0.31 -1.36 115.31 118.39 2cr7 h LEU 58 Ca 0.17 0.08 -0.57 0.00 0.84 0.00 0.00 57.88 58.40 2cr7 h LEU 58 Cb 0.22 0.11 -0.27 0.00 0.37 0.00 0.00 40.66 41.09 2cr7 h LEU 58 CO -0.01 0.03 0.74 0.49 -0.34 0.00 0.00 178.44 179.35 2cr7 n PHE 59 N -5.11 2.89 -0.04 1.25 3.72 -0.61 -4.61 117.46 114.95 2cr7 n PHE 59 Ca 0.04 -2.53 0.18 0.00 -0.05 0.00 0.00 57.45 55.10 2cr7 n PHE 59 Cb 0.21 -1.23 0.63 0.00 -0.94 0.00 0.00 39.48 38.16 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 1.62 0.14 0.00 1.38 2.07 -0.61 0.18 115.15 119.92 2cr7 h HIS 60 Ca 0.56 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.98 2cr7 h HIS 60 Cb 1.36 -0.04 -0.02 0.00 2.57 0.00 0.00 27.41 31.28 2cr7 h HIS 60 CO 1.36 0.06 -0.69 0.93 -3.07 0.00 0.00 177.93 176.51 2cr7 h GLU 61 N 0.12 0.00 -3.50 5.12 4.39 -1.84 -3.40 114.58 115.47 2cr7 h GLU 61 Ca 0.28 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 59.26 2cr7 h GLU 61 Cb 0.93 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 29.24 2cr7 h GLU 61 CO -0.03 0.39 -0.19 -1.01 -1.16 0.00 0.00 179.01 177.00 2cr7 s HIS 62 N -2.99 3.64 -0.22 4.33 3.76 0.63 -4.89 115.29 119.54 2cr7 s HIS 62 Ca 0.02 -2.75 0.28 0.00 -0.15 0.00 0.00 55.06 52.47 2cr7 s HIS 62 Cb 0.08 -3.30 1.17 0.00 1.11 0.00 0.00 32.58 31.64 2cr7 s HIS 62 CO 0.76 -0.82 1.84 -1.00 -0.85 0.00 0.00 174.74 174.66 2cr7 h PRO 63 N 6.73 0.00 -0.01 8.40 0.13 -1.78 -2.86 132.00 142.61 2cr7 h PRO 63 Ca 0.07 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.98 2cr7 h PRO 63 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2cr7 h PRO 63 CO 0.77 0.00 -0.92 -0.44 -0.23 0.00 0.00 178.00 177.19 2cr7 h ASP 64 N 0.00 0.49 -0.08 1.44 3.32 -1.90 -3.16 116.42 116.54 2cr7 h ASP 64 Ca 0.00 -0.39 -0.15 0.00 0.02 0.00 0.00 57.03 56.51 2cr7 h ASP 64 Cb 0.41 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.82 2cr7 h ASP 64 CO 0.00 1.18 -0.52 -0.07 -1.72 0.00 0.00 179.24 178.11 2cr7 h LEU 65 N 0.22 0.60 -0.85 1.55 3.38 -1.86 -2.56 115.31 115.79 2cr7 h LEU 65 Ca -0.07 -0.67 0.14 0.00 0.09 0.00 0.00 57.88 57.37 2cr7 h LEU 65 Cb 1.55 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 42.03 2cr7 h LEU 65 CO 0.16 1.17 0.45 0.40 0.09 0.00 0.00 178.44 180.70 2cr7 h ILE 66 N 0.07 0.77 -0.23 1.22 2.04 -1.61 -0.19 117.51 119.58 2cr7 h ILE 66 Ca -0.04 -0.23 -0.19 0.00 1.00 0.00 0.00 64.86 65.40 2cr7 h ILE 66 Cb 1.18 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2cr7 h ILE 66 CO 0.11 0.12 -0.60 0.58 0.00 0.00 0.00 178.15 178.36 2cr7 h VAL 67 N 0.66 1.29 -0.54 1.67 2.07 -1.58 -3.17 116.25 116.66 2cr7 h VAL 67 Ca 0.45 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 2cr7 h VAL 67 Cb 0.59 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 2cr7 h VAL 67 CO -0.34 0.58 0.19 1.23 0.02 0.00 0.00 177.57 179.26 2cr7 h GLY 68 N 0.79 0.84 0.99 2.17 0.00 -0.78 0.15 103.07 107.23 2cr7 h GLY 68 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2cr7 h GLY 68 CO 0.13 0.41 -0.07 -2.75 0.00 0.00 0.00 176.54 174.26 2cr7 h PHE 69 N 0.77 -0.17 0.40 5.60 3.04 -1.06 0.17 116.94 125.69 2cr7 h PHE 69 Ca 0.18 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 2cr7 h PHE 69 Cb 0.18 0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.76 2cr7 h PHE 69 CO 0.01 -0.11 -0.19 -0.91 -2.02 0.00 0.00 178.31 175.09 2cr7 h ASN 70 N -0.18 -0.46 -0.98 0.41 2.35 -1.53 0.16 115.58 115.35 2cr7 h ASN 70 Ca -0.02 -0.11 0.21 0.00 -0.55 0.00 0.00 56.30 55.83 2cr7 h ASN 70 Cb 0.14 0.12 -0.11 0.00 0.05 0.00 0.00 38.32 38.52 2cr7 h ASN 70 CO 0.03 -0.03 0.57 0.00 -1.65 0.00 0.00 177.43 176.34 2cr7 h ALA 71 N -0.73 1.65 0.21 -0.83 0.00 -1.01 -2.83 119.26 115.72 2cr7 h ALA 71 Ca -0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2cr7 h ALA 71 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2cr7 h ALA 71 CO 0.09 -0.15 -0.10 0.35 0.00 0.00 0.00 179.25 179.44 2cr7 h PHE 72 N 0.66 -0.27 -0.68 0.00 3.57 -0.66 -3.46 116.94 116.09 2cr7 h PHE 72 Ca 0.59 -0.01 -0.50 0.00 3.53 0.00 0.00 57.97 61.58 2cr7 h PHE 72 Cb 1.00 0.09 0.05 0.00 2.79 0.00 0.00 35.95 39.88 2cr7 h PHE 72 CO -0.03 -0.17 -0.16 -0.11 -2.23 0.00 0.00 178.31 175.62 2cr7 n LEU 73 N -4.36 -0.43 -4.77 0.59 7.94 0.55 -4.87 117.00 111.65 2cr7 n LEU 73 Ca -0.04 0.78 -0.32 0.00 -1.11 0.00 0.00 56.01 55.32 2cr7 n LEU 73 Cb 0.11 -0.64 0.06 0.00 0.53 0.00 0.00 43.42 43.49 2cr7 n LEU 73 CO 0.09 -1.68 0.73 -2.16 -1.11 0.00 0.00 177.39 173.25 2cr7 s PRO 74 N -0.34 2.59 0.18 1.96 0.04 -1.26 -4.92 135.00 133.24 2cr7 s PRO 74 Ca 0.53 1.31 -0.14 0.00 0.04 0.00 0.00 61.00 62.74 2cr7 s PRO 74 Cb -0.75 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 32.01 2cr7 s PRO 74 CO 0.39 -1.40 1.74 0.77 0.04 0.00 0.00 177.00 178.53 2cr7 h SER 75 N -0.41 0.12 -0.67 6.66 0.02 -1.95 -3.48 113.55 113.84 2cr7 h SER 75 Ca -0.46 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2cr7 h SER 75 Cb 1.24 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2cr7 h SER 75 CO 0.53 0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.93 2cr7 n GLY 76 N -1.26 -1.64 3.66 -3.77 0.00 -1.26 -5.10 105.19 95.82 2cr7 n GLY 76 Ca 0.04 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 2cr7 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr7 s PRO 77 N -1.92 4.16 -0.31 1.61 0.04 -1.26 -5.00 135.00 132.33 2cr7 s PRO 77 Ca 0.00 1.98 -0.06 0.00 0.04 0.00 0.00 61.00 62.96 2cr7 s PRO 77 Cb 0.00 -3.92 0.02 0.00 0.04 0.00 0.00 34.50 30.64 2cr7 s PRO 77 CO 0.00 -0.84 0.08 -1.54 0.04 0.00 0.00 177.00 174.74 2cr7 s SER 78 N 3.00 5.16 -1.46 6.66 1.04 -1.26 -4.66 113.70 122.19 2cr7 s SER 78 Ca 0.67 -0.90 -0.19 0.00 0.48 0.00 0.00 55.95 56.02 2cr7 s SER 78 Cb -0.29 -1.86 0.19 0.00 0.10 0.00 0.00 66.02 64.15 2cr7 s SER 78 CO 0.25 -0.25 0.46 -1.20 0.98 0.00 0.00 173.24 173.49 2cr7 n SER 79 N 4.83 -1.48 0.00 7.02 7.64 -1.26 -5.30 113.62 125.07 2cr7 n SER 79 Ca -0.14 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.81 2cr7 n SER 79 Cb 0.46 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 2cr7 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64