#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 -0.29 -0.12 1.61 0.01 -1.26 -5.18 113.70 108.46 2cr7 s SER 2 Ca 0.00 -0.52 -0.27 0.00 1.31 0.00 0.00 55.95 56.47 2cr7 s SER 2 Cb 0.00 0.67 0.07 0.00 0.21 0.00 0.00 66.02 66.96 2cr7 s SER 2 CO 0.00 -1.21 0.66 -0.55 0.41 0.00 0.00 173.24 172.54 2cr7 s SER 3 N -2.89 -0.65 0.00 2.44 0.15 -1.26 -5.14 113.70 106.35 2cr7 s SER 3 Ca 0.10 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.67 2cr7 s SER 3 Cb -0.04 0.84 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 2cr7 s SER 3 CO 0.02 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.61 2cr7 n GLY 4 N 1.59 3.67 3.74 9.45 0.00 -1.26 -5.18 105.19 117.20 2cr7 n GLY 4 Ca -0.17 -1.18 -0.07 0.00 0.00 0.00 0.00 46.02 44.59 2cr7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr7 s SER 5 N 0.00 -0.31 0.34 1.61 0.01 -1.26 -5.19 113.70 108.91 2cr7 s SER 5 Ca 0.00 -0.43 -0.15 0.00 1.31 0.00 0.00 55.95 56.69 2cr7 s SER 5 Cb 0.00 0.65 0.06 0.00 0.21 0.00 0.00 66.02 66.93 2cr7 s SER 5 CO 0.00 -1.16 0.77 -0.24 0.41 0.00 0.00 173.24 173.01 2cr7 n SER 6 N -0.44 -2.09 0.00 2.44 2.88 -1.26 -4.95 113.62 110.21 2cr7 n SER 6 Ca -0.07 -2.41 0.00 0.00 -1.33 0.00 0.00 58.87 55.06 2cr7 n SER 6 Cb 0.61 3.47 0.00 0.00 -0.75 0.00 0.00 64.21 67.53 2cr7 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr7 n GLY 7 N -0.52 -1.64 3.55 0.46 0.00 -1.26 -4.86 105.19 100.92 2cr7 n GLY 7 Ca -0.08 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 2cr7 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cr7 s VAL 8 N -2.11 1.91 0.90 1.61 -7.23 -1.26 -4.94 120.40 109.28 2cr7 s VAL 8 Ca 0.00 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 60.02 2cr7 s VAL 8 Cb 0.00 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 2cr7 s VAL 8 CO 0.00 0.00 -0.01 1.41 -0.31 0.00 0.00 175.10 176.19 2cr7 n HIS 9 N -4.72 -2.71 -0.22 2.82 8.25 -1.26 -4.67 115.22 112.70 2cr7 n HIS 9 Ca 0.05 0.17 -0.01 0.00 -0.26 0.00 0.00 57.72 57.67 2cr7 n HIS 9 Cb 0.56 -1.68 0.10 0.00 1.12 0.00 0.00 29.99 30.09 2cr7 n HIS 9 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 2cr7 h VAL 10 N -1.08 0.92 -1.88 1.59 -1.51 -1.98 -3.44 116.25 108.88 2cr7 h VAL 10 Ca -0.44 -0.21 -0.55 0.00 -1.23 0.00 0.00 66.70 64.27 2cr7 h VAL 10 Cb 1.31 0.25 0.18 0.00 -2.13 0.00 0.00 31.29 30.90 2cr7 h VAL 10 CO 0.32 0.11 -1.22 -1.84 -1.23 0.00 0.00 177.57 173.72 2cr7 n GLU 11 N -4.83 0.00 -3.21 5.19 0.28 -1.26 -3.06 120.64 113.74 2cr7 n GLU 11 Ca 0.08 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.94 2cr7 n GLU 11 Cb 0.20 -0.94 0.07 0.00 1.43 0.00 0.00 31.44 32.20 2cr7 n GLU 11 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2cr7 n ASP 12 N 2.54 -2.47 -0.08 -1.84 9.92 -1.26 -4.97 116.55 118.39 2cr7 n ASP 12 Ca 0.06 -0.50 -0.12 0.00 -0.53 0.00 0.00 54.79 53.69 2cr7 n ASP 12 Cb 0.46 -4.32 -0.06 0.00 -0.64 0.00 0.00 41.12 36.56 2cr7 n ASP 12 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cr7 h ALA 13 N 0.76 0.11 0.00 2.24 0.00 -1.89 -3.38 119.26 117.11 2cr7 h ALA 13 Ca -0.49 -0.78 -0.03 0.00 0.00 0.00 0.00 54.91 53.62 2cr7 h ALA 13 Cb 1.28 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 2cr7 h ALA 13 CO 0.42 0.54 -0.14 1.37 0.00 0.00 0.00 179.25 181.44 2cr7 h LEU 14 N -1.00 0.00 -0.76 0.00 8.10 -1.93 -3.24 115.31 116.48 2cr7 h LEU 14 Ca -0.15 0.00 0.08 0.00 0.11 0.00 0.00 57.88 57.92 2cr7 h LEU 14 Cb 0.84 0.00 -0.10 0.00 -0.44 0.00 0.00 40.66 40.96 2cr7 h LEU 14 CO -0.09 0.14 -0.40 0.41 -4.11 0.00 0.00 178.44 174.39 2cr7 n THR 15 N -3.66 -0.48 -0.29 0.15 -1.04 -1.26 0.14 114.28 107.84 2cr7 n THR 15 Ca -0.02 1.82 -0.03 0.00 -2.04 0.00 0.00 64.05 63.78 2cr7 n THR 15 Cb 0.26 -2.30 0.08 0.00 -1.82 0.00 0.00 70.33 66.56 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 0.97 -0.51 -1.42 5.03 -1.81 -2.85 116.97 116.38 2cr7 h TYR 16 Ca 0.17 0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.59 2cr7 h TYR 16 Cb 0.36 -0.33 -0.10 0.00 1.55 0.00 0.00 36.73 38.21 2cr7 h TYR 16 CO -0.75 0.59 -0.34 1.25 -1.32 0.00 0.00 178.16 177.60 2cr7 h LEU 17 N 1.03 -1.14 -0.95 2.82 7.12 0.11 0.27 115.31 124.57 2cr7 h LEU 17 Ca 0.30 0.21 0.28 0.00 0.13 0.00 0.00 57.88 58.81 2cr7 h LEU 17 Cb -0.06 0.55 -0.18 0.00 -0.53 0.00 0.00 40.66 40.45 2cr7 h LEU 17 CO -0.09 -0.31 0.08 -0.67 -0.13 0.00 0.00 178.44 177.32 2cr7 n ASP 18 N -5.42 -0.05 -0.02 1.25 -0.08 -0.77 0.45 116.55 111.90 2cr7 n ASP 18 Ca 0.03 1.61 -0.09 0.00 -1.51 0.00 0.00 54.79 54.83 2cr7 n ASP 18 Cb 0.35 -0.61 -0.02 0.00 2.34 0.00 0.00 41.12 43.17 2cr7 n ASP 18 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2cr7 h GLN 19 N 0.00 -0.22 -0.31 -0.67 1.08 -1.04 -1.71 115.11 112.24 2cr7 h GLN 19 Ca 0.61 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.89 2cr7 h GLN 19 Cb 1.31 0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 28.72 2cr7 h GLN 19 CO -0.87 -0.15 -0.18 0.28 -0.95 0.00 0.00 178.83 176.96 2cr7 h VAL 20 N -0.23 0.49 -0.19 -0.54 2.07 0.01 -0.39 116.25 117.47 2cr7 h VAL 20 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.69 2cr7 h VAL 20 Cb 0.39 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 2cr7 h VAL 20 CO -0.30 0.00 -0.25 0.50 0.02 0.00 0.00 177.57 177.53 2cr7 h LYS 21 N -0.14 -0.28 0.18 1.57 3.64 -1.01 -1.11 116.57 119.41 2cr7 h LYS 21 Ca 0.16 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2cr7 h LYS 21 Cb 0.39 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2cr7 h LYS 21 CO -0.39 -0.19 -0.14 0.82 -2.27 0.00 0.00 179.45 177.28 2cr7 h ILE 22 N -0.29 0.00 -1.33 2.00 2.04 -0.74 -2.41 117.51 116.79 2cr7 h ILE 22 Ca 0.12 0.00 0.47 0.00 1.00 0.00 0.00 64.86 66.45 2cr7 h ILE 22 Cb 0.47 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.41 2cr7 h ILE 22 CO -0.36 0.00 0.83 -0.09 0.00 0.00 0.00 178.15 178.54 2cr7 h ARG 23 N -0.31 0.00 -1.42 2.37 9.65 -1.00 1.29 114.38 124.96 2cr7 h ARG 23 Ca -0.02 -0.00 -0.39 0.00 -1.10 0.00 0.00 59.98 58.47 2cr7 h ARG 23 Cb 0.26 -0.00 -0.17 0.00 -1.39 0.00 0.00 29.97 28.67 2cr7 h ARG 23 CO 0.00 0.00 0.50 1.19 2.80 0.00 0.00 179.97 184.47 2cr7 n PHE 24 N -4.82 1.85 -1.68 2.20 3.72 -0.43 -4.96 117.46 113.34 2cr7 n PHE 24 Ca 0.40 -2.15 -0.47 0.00 -0.05 0.00 0.00 57.45 55.18 2cr7 n PHE 24 Cb 1.53 -1.04 -0.04 0.00 -0.94 0.00 0.00 39.48 38.98 2cr7 n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cr7 n GLY 25 N 0.11 1.54 2.47 1.37 0.00 0.44 -0.60 105.19 110.53 2cr7 n GLY 25 Ca 0.36 0.85 -0.20 0.00 0.00 0.00 0.00 46.02 47.03 2cr7 n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr7 n SER 26 N 6.73 -5.58 -3.76 1.61 7.64 -1.26 -4.93 113.62 114.07 2cr7 n SER 26 Ca 0.22 0.21 -0.29 0.00 1.01 0.00 0.00 58.87 60.01 2cr7 n SER 26 Cb 0.32 -4.71 -0.09 0.00 -1.01 0.00 0.00 64.21 58.72 2cr7 n SER 26 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2cr7 n ASP 27 N -1.56 3.60 0.17 6.43 -0.08 0.24 -4.89 116.55 120.46 2cr7 n ASP 27 Ca -0.22 -3.30 0.02 0.00 -1.51 0.00 0.00 54.79 49.78 2cr7 n ASP 27 Cb 0.67 -0.79 0.30 0.00 2.34 0.00 0.00 41.12 43.64 2cr7 n ASP 27 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2cr7 h PRO 28 N 5.04 0.00 0.55 -0.67 0.13 -1.92 -2.17 132.00 132.96 2cr7 h PRO 28 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 2cr7 h PRO 28 Cb 0.72 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 2cr7 h PRO 28 CO 0.81 0.46 -0.48 0.00 -0.23 0.00 0.00 178.00 178.55 2cr7 h ALA 29 N 1.54 -1.17 0.02 -0.56 0.00 -1.97 0.30 119.26 117.43 2cr7 h ALA 29 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2cr7 h ALA 29 Cb 0.84 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2cr7 h ALA 29 CO 0.06 -1.18 -0.01 1.15 0.00 0.00 0.00 179.25 179.27 2cr7 h THR 30 N -1.01 1.35 -0.87 0.00 2.02 -1.98 -3.04 112.91 109.38 2cr7 h THR 30 Ca -0.07 -1.15 0.20 0.00 0.77 0.00 0.00 66.41 66.16 2cr7 h THR 30 Cb 0.86 2.12 -0.06 0.00 -1.74 0.00 0.00 68.15 69.32 2cr7 h THR 30 CO -0.02 0.29 0.58 0.22 0.37 0.00 0.00 175.52 176.96 2cr7 h TYR 31 N -0.52 0.50 0.67 3.16 3.20 -1.41 -2.42 116.97 120.15 2cr7 h TYR 31 Ca -0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2cr7 h TYR 31 Cb 0.50 -0.15 0.01 0.00 1.54 0.00 0.00 36.73 38.62 2cr7 h TYR 31 CO 0.10 0.14 -0.32 -0.91 -1.64 0.00 0.00 178.16 175.53 2cr7 h ASN 32 N 0.39 -0.76 -0.97 -2.11 2.35 -0.34 -3.01 115.58 111.13 2cr7 h ASN 32 Ca 0.45 0.03 0.38 0.00 -0.55 0.00 0.00 56.30 56.60 2cr7 h ASN 32 Cb 1.13 0.20 -0.18 0.00 0.05 0.00 0.00 38.32 39.52 2cr7 h ASN 32 CO -0.16 -0.47 0.41 0.61 -1.65 0.00 0.00 177.43 176.17 2cr7 n GLY 33 N -0.95 -0.87 0.08 2.83 0.00 -0.93 0.64 105.19 105.99 2cr7 n GLY 33 Ca -0.11 0.83 -0.11 0.00 0.00 0.00 0.00 46.02 46.63 2cr7 n GLY 33 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2cr7 h PHE 34 N 0.00 0.13 0.12 1.61 3.57 -1.43 -2.16 116.94 118.79 2cr7 h PHE 34 Ca 0.77 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.28 2cr7 h PHE 34 Cb 1.96 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.66 2cr7 h PHE 34 CO -0.12 0.08 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.88 2cr7 h LEU 35 N 0.14 -0.22 -2.00 0.59 3.38 0.33 -1.64 115.31 115.90 2cr7 h LEU 35 Ca 0.05 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.20 2cr7 h LEU 35 Cb -0.00 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2cr7 h LEU 35 CO -0.02 -0.14 0.46 -0.33 0.09 0.00 0.00 178.44 178.50 2cr7 h GLU 36 N -0.21 0.00 0.00 1.13 5.08 -1.18 0.35 114.58 119.74 2cr7 h GLU 36 Ca -0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 2cr7 h GLU 36 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2cr7 h GLU 36 CO -0.00 0.00 -0.82 0.82 -1.00 0.00 0.00 179.01 178.01 2cr7 h ILE 37 N 0.00 1.44 -0.29 3.13 2.04 -0.65 -3.30 117.51 119.87 2cr7 h ILE 37 Ca 0.27 -2.95 -0.07 0.00 1.00 0.00 0.00 64.86 63.12 2cr7 h ILE 37 Cb 1.20 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.92 2cr7 h ILE 37 CO -0.00 0.80 -0.09 0.24 0.00 0.00 0.00 178.15 179.10 2cr7 h MET 38 N 0.00 0.57 -0.73 2.37 2.86 0.45 -3.13 114.93 117.33 2cr7 h MET 38 Ca -0.01 -0.23 0.16 0.00 -2.06 0.00 0.00 59.70 57.57 2cr7 h MET 38 Cb 1.59 -0.03 -0.12 0.00 0.06 0.00 0.00 31.60 33.10 2cr7 h MET 38 CO 0.11 0.78 0.10 0.87 1.06 0.00 0.00 176.91 179.83 2cr7 h LYS 39 N 0.33 0.19 -0.60 1.72 1.57 -1.54 0.47 116.57 118.71 2cr7 h LYS 39 Ca 0.07 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.96 2cr7 h LYS 39 Cb 0.58 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.75 2cr7 h LYS 39 CO 0.03 0.12 0.05 0.93 -0.57 0.00 0.00 179.45 180.01 2cr7 h GLU 40 N 0.19 0.16 0.49 3.15 4.39 -1.66 0.45 114.58 121.74 2cr7 h GLU 40 Ca 0.41 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.07 2cr7 h GLU 40 Cb 0.71 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2cr7 h GLU 40 CO -0.56 0.10 -0.23 0.35 -1.16 0.00 0.00 179.01 177.50 2cr7 h PHE 41 N 0.16 -0.61 -1.12 4.33 3.57 -1.05 0.66 116.94 122.89 2cr7 h PHE 41 Ca 0.31 -0.01 0.31 0.00 3.53 0.00 0.00 57.97 62.12 2cr7 h PHE 41 Cb 0.50 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.38 2cr7 h PHE 41 CO -0.32 -0.38 0.78 1.57 -2.23 0.00 0.00 178.31 177.73 2cr7 h LYS 42 N -0.96 0.12 -0.93 1.11 5.09 -0.92 1.02 116.57 121.10 2cr7 h LYS 42 Ca -0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 60.65 60.66 2cr7 h LYS 42 Cb 0.50 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.80 2cr7 h LYS 42 CO 0.11 0.08 0.01 -1.13 -2.09 0.00 0.00 179.45 176.43 2cr7 n SER 43 N -4.34 1.97 -4.32 7.07 3.41 0.16 -4.85 113.62 112.71 2cr7 n SER 43 Ca 0.25 -2.17 -0.37 0.00 -0.26 0.00 0.00 58.87 56.31 2cr7 n SER 43 Cb 1.11 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 64.48 2cr7 n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cr7 n GLN 44 N 0.12 -2.24 -0.12 4.33 6.02 0.35 -4.82 117.38 121.02 2cr7 n GLN 44 Ca 0.05 0.28 -0.21 0.00 -0.01 0.00 0.00 57.00 57.12 2cr7 n GLN 44 Cb 0.45 -4.84 -0.10 0.00 1.02 0.00 0.00 30.24 26.76 2cr7 n GLN 44 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2cr7 n SER 45 N -2.63 2.01 -4.75 1.08 2.88 0.20 -5.02 113.62 107.39 2cr7 n SER 45 Ca 0.04 0.04 -0.23 0.00 -1.33 0.00 0.00 58.87 57.39 2cr7 n SER 45 Cb 0.50 -0.53 -0.06 0.00 -0.75 0.00 0.00 64.21 63.38 2cr7 n SER 45 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2cr7 s ILE 46 N -2.48 3.34 0.65 2.46 -4.36 -1.06 -4.99 121.20 114.75 2cr7 s ILE 46 Ca -0.34 -1.63 0.01 0.00 -0.26 0.00 0.00 60.65 58.43 2cr7 s ILE 46 Cb 0.11 -3.04 0.09 0.00 1.25 0.00 0.00 42.46 40.86 2cr7 s ILE 46 CO 0.52 -0.23 0.90 -1.81 0.24 0.00 0.00 174.94 174.56 2cr7 s ASP 47 N -3.85 4.74 0.13 4.36 1.11 -1.26 -4.68 116.67 117.22 2cr7 s ASP 47 Ca 0.37 -0.31 -0.31 0.00 0.18 0.00 0.00 52.55 52.48 2cr7 s ASP 47 Cb -0.04 -0.26 -0.08 0.00 1.07 0.00 0.00 42.92 43.61 2cr7 s ASP 47 CO 0.23 -1.57 1.56 0.74 1.18 0.00 0.00 175.17 177.31 2cr7 h THR 48 N -0.25 0.03 0.00 -1.27 2.02 -2.00 0.22 112.91 111.66 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 1.28 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2cr7 h THR 48 CO 0.44 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.52 2cr7 n PRO 49 N -5.40 0.12 0.11 6.66 -0.04 -1.26 -2.75 135.00 132.44 2cr7 n PRO 49 Ca -0.03 0.36 -0.03 0.00 -0.04 0.00 0.00 63.50 63.76 2cr7 n PRO 49 Cb 0.35 -1.74 0.16 0.00 -0.04 0.00 0.00 33.50 32.23 2cr7 n PRO 49 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2cr7 h GLY 50 N 2.29 0.14 1.56 0.55 0.00 -0.92 -2.79 103.07 103.90 2cr7 h GLY 50 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2cr7 h GLY 50 CO 0.00 0.15 -0.36 -0.24 0.00 0.00 0.00 176.54 176.10 2cr7 h VAL 51 N 0.10 0.00 0.01 4.60 3.04 -1.30 -3.33 116.25 119.37 2cr7 h VAL 51 Ca -0.01 -0.63 -0.02 0.00 -1.01 0.00 0.00 66.70 65.04 2cr7 h VAL 51 Cb 1.07 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 2cr7 h VAL 51 CO 0.08 0.00 -0.09 0.40 -1.01 0.00 0.00 177.57 176.95 2cr7 h ILE 52 N 0.00 1.75 -0.84 3.17 2.04 -1.59 -2.79 117.51 119.25 2cr7 h ILE 52 Ca 0.00 -2.32 0.18 0.00 1.00 0.00 0.00 64.86 63.73 2cr7 h ILE 52 Cb 0.81 3.32 -0.06 0.00 -0.74 0.00 0.00 36.82 40.15 2cr7 h ILE 52 CO 0.00 0.61 0.56 0.08 0.00 0.00 0.00 178.15 179.40 2cr7 h ARG 53 N -0.90 0.38 0.14 2.37 0.11 -1.63 0.16 114.38 115.01 2cr7 h ARG 53 Ca -0.02 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 2cr7 h ARG 53 Cb 1.05 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.05 2cr7 h ARG 53 CO 0.02 0.25 -0.07 0.00 0.10 0.00 0.00 179.97 180.27 2cr7 h ARG 54 N 0.39 -0.18 -0.98 0.08 2.47 -1.67 -3.26 114.38 111.22 2cr7 h ARG 54 Ca 0.42 0.01 0.12 0.00 -1.26 0.00 0.00 59.98 59.27 2cr7 h ARG 54 Cb 1.06 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 29.34 2cr7 h ARG 54 CO -0.14 0.24 0.62 0.28 0.56 0.00 0.00 179.97 181.53 2cr7 h VAL 55 N -0.92 0.93 -0.73 2.04 2.07 -1.12 -0.14 116.25 118.38 2cr7 h VAL 55 Ca -0.02 -0.33 0.14 0.00 0.82 0.00 0.00 66.70 67.31 2cr7 h VAL 55 Cb 0.50 -0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 2cr7 h VAL 55 CO 0.03 0.18 0.49 0.77 0.02 0.00 0.00 177.57 179.06 2cr7 h SER 56 N 0.97 0.37 0.30 0.57 4.64 -0.78 -0.39 113.55 119.23 2cr7 h SER 56 Ca 0.48 0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.55 2cr7 h SER 56 Cb 0.48 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2cr7 h SER 56 CO -0.25 0.20 -1.13 1.56 -0.87 0.00 0.00 176.83 176.34 2cr7 h GLN 57 N 0.40 0.48 -0.17 4.77 1.08 -1.07 -3.00 115.11 117.60 2cr7 h GLN 57 Ca 0.35 -0.62 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 2cr7 h GLN 57 Cb 0.82 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 2cr7 h GLN 57 CO -0.11 1.25 0.08 1.25 -0.95 0.00 0.00 178.83 180.35 2cr7 h LEU 58 N 0.22 0.22 -4.32 1.46 5.85 -0.68 -2.94 115.31 115.12 2cr7 h LEU 58 Ca -0.14 -0.12 -0.70 0.00 0.84 0.00 0.00 57.88 57.76 2cr7 h LEU 58 Cb 1.80 -0.06 -0.28 0.00 0.37 0.00 0.00 40.66 42.50 2cr7 h LEU 58 CO 0.20 0.28 0.92 0.49 -0.34 0.00 0.00 178.44 180.00 2cr7 n PHE 59 N -4.89 3.09 0.26 1.25 3.72 -0.43 -4.63 117.46 115.83 2cr7 n PHE 59 Ca -0.04 -2.76 0.08 0.00 -0.05 0.00 0.00 57.45 54.68 2cr7 n PHE 59 Cb 0.09 -1.36 0.64 0.00 -0.94 0.00 0.00 39.48 37.92 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 2.33 0.00 -0.01 1.38 2.07 -1.37 0.65 115.15 120.21 2cr7 h HIS 60 Ca 0.59 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.11 2cr7 h HIS 60 Cb 0.55 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.53 2cr7 h HIS 60 CO 1.34 0.04 -0.05 0.39 -3.07 0.00 0.00 177.93 176.59 2cr7 n GLU 61 N -4.39 1.06 -3.64 5.12 -0.58 -1.26 -4.41 120.64 112.54 2cr7 n GLU 61 Ca -0.03 -0.37 -0.28 0.00 -0.42 0.00 0.00 57.16 56.06 2cr7 n GLU 61 Cb 0.13 -1.49 -0.12 0.00 -0.57 0.00 0.00 31.44 29.39 2cr7 n GLU 61 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2cr7 s HIS 62 N -2.19 2.06 -0.10 -0.32 3.76 0.22 -4.94 115.29 113.78 2cr7 s HIS 62 Ca 0.37 -2.61 0.30 0.00 -0.15 0.00 0.00 55.06 52.98 2cr7 s HIS 62 Cb 0.21 -1.74 1.26 0.00 1.11 0.00 0.00 32.58 33.41 2cr7 s HIS 62 CO 0.40 -0.73 1.89 -1.00 -0.85 0.00 0.00 174.74 174.45 2cr7 h PRO 63 N 6.00 0.00 -0.05 8.40 0.13 -1.77 -2.88 132.00 141.83 2cr7 h PRO 63 Ca 0.13 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.02 2cr7 h PRO 63 Cb 0.87 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.02 2cr7 h PRO 63 CO 0.50 0.00 -0.92 -0.44 -0.23 0.00 0.00 178.00 176.91 2cr7 h ASP 64 N 0.00 0.90 0.43 1.44 3.32 -1.92 -3.00 116.42 117.59 2cr7 h ASP 64 Ca 0.00 -0.70 -0.16 0.00 0.02 0.00 0.00 57.03 56.19 2cr7 h ASP 64 Cb 0.44 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2cr7 h ASP 64 CO 0.00 1.47 -0.69 -0.07 -1.72 0.00 0.00 179.24 178.23 2cr7 h LEU 65 N 0.41 0.27 -0.76 1.55 3.38 -1.88 -1.33 115.31 116.94 2cr7 h LEU 65 Ca -0.10 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 2cr7 h LEU 65 Cb 1.57 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 2cr7 h LEU 65 CO 0.18 0.88 0.25 0.40 0.09 0.00 0.00 178.44 180.24 2cr7 h ILE 66 N 0.16 1.26 0.05 1.22 2.04 -1.55 -1.79 117.51 118.91 2cr7 h ILE 66 Ca -0.02 -0.90 -0.09 0.00 1.00 0.00 0.00 64.86 64.85 2cr7 h ILE 66 Cb 1.23 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2cr7 h ILE 66 CO 0.11 0.36 -0.39 0.58 0.00 0.00 0.00 178.15 178.80 2cr7 h VAL 67 N 1.13 1.61 0.00 1.67 2.07 -1.50 -3.16 116.25 118.08 2cr7 h VAL 67 Ca 0.25 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.47 2cr7 h VAL 67 Cb 0.29 3.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 2cr7 h VAL 67 CO -0.01 0.63 0.00 0.61 0.02 0.00 0.00 177.57 178.82 2cr7 n GLY 68 N 1.45 -0.71 0.07 2.17 0.00 -0.51 -1.56 105.19 106.11 2cr7 n GLY 68 Ca -0.11 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 2cr7 n GLY 68 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2cr7 h PHE 69 N 0.00 0.00 0.31 1.61 3.04 -1.35 -3.16 116.94 117.40 2cr7 h PHE 69 Ca 0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 2cr7 h PHE 69 Cb 0.08 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.59 2cr7 h PHE 69 CO 0.00 0.41 -0.15 -2.95 -2.02 0.00 0.00 178.31 173.60 2cr7 h ASN 70 N -1.00 -0.35 -0.88 0.41 7.08 -1.48 0.28 115.58 119.64 2cr7 h ASN 70 Ca -0.08 -0.09 0.10 0.00 -3.08 0.00 0.00 56.30 53.15 2cr7 h ASN 70 Cb 0.62 0.09 -0.08 0.00 -2.08 0.00 0.00 38.32 36.88 2cr7 h ASN 70 CO -0.05 -0.12 0.52 0.00 -2.08 0.00 0.00 177.43 175.71 2cr7 h ALA 71 N 0.06 1.28 0.42 4.14 0.00 -1.51 -3.05 119.26 120.59 2cr7 h ALA 71 Ca -0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2cr7 h ALA 71 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2cr7 h ALA 71 CO 0.07 0.15 -0.20 0.35 0.00 0.00 0.00 179.25 179.61 2cr7 h PHE 72 N 0.86 -0.52 -0.78 0.00 3.57 -1.49 -3.46 116.94 115.13 2cr7 h PHE 72 Ca 0.43 -0.01 -0.61 0.00 3.53 0.00 0.00 57.97 61.31 2cr7 h PHE 72 Cb 0.39 0.17 0.04 0.00 2.79 0.00 0.00 35.95 39.35 2cr7 h PHE 72 CO -0.04 -0.32 0.03 -0.11 -2.23 0.00 0.00 178.31 175.63 2cr7 n LEU 73 N -4.79 -0.04 0.03 0.59 0.00 0.98 -4.65 117.00 109.13 2cr7 n LEU 73 Ca -0.07 0.90 -0.13 0.00 0.00 0.00 0.00 56.01 56.71 2cr7 n LEU 73 Cb 0.22 -0.71 -0.09 0.00 0.00 0.00 0.00 43.42 42.84 2cr7 n LEU 73 CO 0.17 -1.51 0.57 1.55 0.00 0.00 0.00 177.39 178.17 2cr7 h PRO 74 N 2.28 -0.12 -3.28 1.96 0.13 -1.85 -3.44 132.00 127.68 2cr7 h PRO 74 Ca -0.39 0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.53 2cr7 h PRO 74 Cb 1.11 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2cr7 h PRO 74 CO 0.50 0.33 -0.26 -1.13 -0.23 0.00 0.00 178.00 177.21 2cr7 n SER 75 N -4.92 -3.37 -3.32 1.44 3.41 -1.26 -4.00 113.62 101.59 2cr7 n SER 75 Ca -0.09 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2cr7 n SER 75 Cb 0.25 -2.97 0.00 0.00 -0.26 0.00 0.00 64.21 61.23 2cr7 n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr7 n GLY 76 N -0.61 -1.86 0.00 5.00 0.00 -1.26 -4.88 105.19 101.58 2cr7 n GLY 76 Ca -0.12 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.11 -0.44 -3.82 1.61 -0.04 -1.26 -4.44 135.00 126.50 2cr7 n PRO 77 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2cr7 n PRO 77 Cb 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.49 2cr7 n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr7 n SER 78 N -2.12 -2.96 -1.18 3.54 2.88 -1.26 -4.84 113.62 107.68 2cr7 n SER 78 Ca 0.00 -0.81 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 2cr7 n SER 78 Cb 0.00 -3.93 0.15 0.00 -0.75 0.00 0.00 64.21 59.68 2cr7 n SER 78 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cr7 n SER 79 N -2.94 3.07 0.00 -3.46 3.41 -1.26 -5.20 113.62 107.23 2cr7 n SER 79 Ca -0.13 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 2cr7 n SER 79 Cb 0.60 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2cr7 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49