#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr7 n SER 2 N 0.00 0.27 -4.45 1.61 2.88 -1.26 -4.91 113.62 107.76 2cr7 n SER 2 Ca 0.00 0.04 -0.44 0.00 -1.33 0.00 0.00 58.87 57.14 2cr7 n SER 2 Cb 0.00 -0.10 -0.02 0.00 -0.75 0.00 0.00 64.21 63.34 2cr7 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cr7 s SER 3 N -5.29 6.68 -0.12 -3.46 0.15 -1.26 -4.96 113.70 105.44 2cr7 s SER 3 Ca -0.03 -2.16 -0.08 0.00 0.70 0.00 0.00 55.95 54.37 2cr7 s SER 3 Cb 0.01 -2.40 0.04 0.00 -1.71 0.00 0.00 66.02 61.97 2cr7 s SER 3 CO 0.04 -1.02 0.30 -0.83 1.20 0.00 0.00 173.24 172.93 2cr7 s GLY 4 N 3.53 -0.22 -0.29 9.45 0.00 -1.26 -5.14 107.32 113.39 2cr7 s GLY 4 Ca 0.34 1.04 -0.13 0.00 0.00 0.00 0.00 44.72 45.98 2cr7 s GLY 4 CO -0.08 1.12 0.75 -0.56 0.00 0.00 0.00 173.10 174.32 2cr7 s SER 5 N 0.82 -0.95 0.01 1.64 0.01 -1.26 -5.06 113.70 108.91 2cr7 s SER 5 Ca -0.05 1.36 0.06 0.00 1.31 0.00 0.00 55.95 58.62 2cr7 s SER 5 Cb -0.06 1.90 -0.03 0.00 0.21 0.00 0.00 66.02 68.03 2cr7 s SER 5 CO -0.06 -0.20 -0.17 -0.44 0.41 0.00 0.00 173.24 172.79 2cr7 s SER 6 N 2.41 3.84 0.00 2.44 0.01 -1.26 -4.72 113.70 116.42 2cr7 s SER 6 Ca -0.07 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2cr7 s SER 6 Cb -0.09 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.46 2cr7 s SER 6 CO -0.19 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.36 2cr7 n GLY 7 N 1.85 2.76 2.51 3.44 0.00 -1.26 -5.03 105.19 109.47 2cr7 n GLY 7 Ca -0.16 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 0.81 -3.66 1.61 0.24 -1.26 -4.96 118.33 111.10 2cr7 n VAL 8 Ca 0.00 -0.20 -0.08 0.00 -2.04 0.00 0.00 64.34 62.02 2cr7 n VAL 8 Cb 0.00 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.29 2cr7 n VAL 8 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 2cr7 s HIS 9 N -0.40 -0.89 -0.89 6.34 -3.43 -1.26 -4.93 115.29 109.82 2cr7 s HIS 9 Ca 0.55 1.77 -0.08 0.00 -0.80 0.00 0.00 55.06 56.50 2cr7 s HIS 9 Cb -0.79 0.48 0.08 0.00 -1.43 0.00 0.00 32.58 30.92 2cr7 s HIS 9 CO 0.41 -0.47 0.19 1.55 -2.00 0.00 0.00 174.74 174.43 2cr7 n VAL 10 N 4.54 -0.18 -3.60 -5.38 3.14 -1.26 -4.80 118.33 110.78 2cr7 n VAL 10 Ca -0.19 -0.09 -0.13 0.00 -2.96 0.00 0.00 64.34 60.97 2cr7 n VAL 10 Cb 0.55 -0.34 -0.07 0.00 -1.06 0.00 0.00 33.84 32.93 2cr7 n VAL 10 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2cr7 s GLU 11 N -4.52 0.74 1.02 1.45 2.12 -1.26 -5.13 118.70 113.13 2cr7 s GLU 11 Ca 0.27 0.61 -0.16 0.00 0.36 0.00 0.00 54.97 56.05 2cr7 s GLU 11 Cb -0.16 0.36 0.04 0.00 0.26 0.00 0.00 34.13 34.63 2cr7 s GLU 11 CO 0.51 -0.14 0.06 -0.40 -0.54 0.00 0.00 175.26 174.75 2cr7 n ASP 12 N 1.93 -2.54 -4.17 -1.70 5.75 -1.26 -4.48 116.55 110.07 2cr7 n ASP 12 Ca -0.14 0.12 -0.39 0.00 -0.01 0.00 0.00 54.79 54.37 2cr7 n ASP 12 Cb 0.56 -1.04 -0.08 0.00 -1.03 0.00 0.00 41.12 39.53 2cr7 n ASP 12 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cr7 s ALA 13 N -2.28 3.58 0.63 2.12 0.00 -1.26 -4.89 121.76 119.65 2cr7 s ALA 13 Ca 0.54 -3.02 0.22 0.00 0.00 0.00 0.00 51.96 49.70 2cr7 s ALA 13 Cb -0.16 -2.82 0.97 0.00 0.00 0.00 0.00 23.12 21.11 2cr7 s ALA 13 CO 0.68 -2.05 1.48 1.37 0.00 0.00 0.00 175.76 177.24 2cr7 h LEU 14 N 7.60 0.00 -0.75 0.00 -0.00 -2.00 0.01 115.31 120.17 2cr7 h LEU 14 Ca -0.05 0.00 0.17 0.00 -0.00 0.00 0.00 57.88 58.00 2cr7 h LEU 14 Cb 1.01 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.54 2cr7 h LEU 14 CO 0.75 0.00 0.11 0.74 -0.00 0.00 0.00 178.44 180.05 2cr7 h THR 15 N 0.00 0.42 0.00 0.15 2.02 -2.02 0.61 112.91 114.09 2cr7 h THR 15 Ca 0.23 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 2cr7 h THR 15 Cb 1.93 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2cr7 h THR 15 CO -0.00 0.03 -0.03 0.22 0.37 0.00 0.00 175.52 176.11 2cr7 h TYR 16 N 0.19 0.00 0.20 3.16 5.03 -1.40 -3.26 116.97 120.89 2cr7 h TYR 16 Ca 0.43 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.73 2cr7 h TYR 16 Cb 0.76 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.04 2cr7 h TYR 16 CO -0.33 0.03 -0.10 1.25 -1.32 0.00 0.00 178.16 177.70 2cr7 h LEU 17 N 0.00 -0.23 -0.87 2.82 7.12 0.10 -3.01 115.31 121.25 2cr7 h LEU 17 Ca -0.00 -0.24 0.10 0.00 0.13 0.00 0.00 57.88 57.87 2cr7 h LEU 17 Cb 0.84 0.06 -0.08 0.00 -0.53 0.00 0.00 40.66 40.95 2cr7 h LEU 17 CO 0.00 0.15 0.51 -0.78 -0.13 0.00 0.00 178.44 178.19 2cr7 h ASP 18 N -0.64 0.73 -0.38 1.25 1.82 -1.36 -2.05 116.42 115.79 2cr7 h ASP 18 Ca -0.03 0.05 0.08 0.00 -0.39 0.00 0.00 57.03 56.74 2cr7 h ASP 18 Cb 0.46 -0.09 -0.07 0.00 0.68 0.00 0.00 39.33 40.31 2cr7 h ASP 18 CO 0.05 0.41 -0.07 1.56 -1.61 0.00 0.00 179.24 179.57 2cr7 h GLN 19 N 0.84 0.02 -0.42 0.28 1.08 -1.59 -1.91 115.11 113.41 2cr7 h GLN 19 Ca 0.42 -0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.70 2cr7 h GLN 19 Cb 0.39 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.74 2cr7 h GLN 19 CO -0.25 0.01 -0.10 0.28 -0.95 0.00 0.00 178.83 177.82 2cr7 h VAL 20 N 0.02 0.58 -0.50 -0.54 2.07 -1.24 -0.71 116.25 115.94 2cr7 h VAL 20 Ca 0.19 -0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.79 2cr7 h VAL 20 Cb 0.28 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 2cr7 h VAL 20 CO -0.38 0.00 0.12 0.50 0.02 0.00 0.00 177.57 177.84 2cr7 h LYS 21 N 0.00 0.26 0.37 1.57 3.64 -1.25 -0.68 116.57 120.49 2cr7 h LYS 21 Ca 0.20 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2cr7 h LYS 21 Cb 0.31 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2cr7 h LYS 21 CO -0.43 0.17 -0.22 0.82 -2.27 0.00 0.00 179.45 177.52 2cr7 h ILE 22 N 0.27 0.53 -0.46 2.00 2.04 -0.67 0.14 117.51 121.36 2cr7 h ILE 22 Ca 0.25 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.20 2cr7 h ILE 22 Cb 0.32 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 36.85 2cr7 h ILE 22 CO -0.31 0.00 -0.04 -0.09 0.00 0.00 0.00 178.15 177.72 2cr7 h ARG 23 N -0.57 0.07 -1.04 2.37 9.65 -0.77 -0.88 114.38 123.22 2cr7 h ARG 23 Ca -0.04 -0.00 -0.62 0.00 -1.10 0.00 0.00 59.98 58.22 2cr7 h ARG 23 Cb 0.46 -0.02 -0.28 0.00 -1.39 0.00 0.00 29.97 28.75 2cr7 h ARG 23 CO 0.04 0.05 0.80 1.19 2.80 0.00 0.00 179.97 184.85 2cr7 n PHE 24 N -5.26 3.06 -0.19 2.20 3.72 -0.30 -4.65 117.46 116.05 2cr7 n PHE 24 Ca 0.04 -2.73 -0.05 0.00 -0.05 0.00 0.00 57.45 54.67 2cr7 n PHE 24 Cb 0.25 -1.32 0.05 0.00 -0.94 0.00 0.00 39.48 37.52 2cr7 n PHE 24 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2cr7 h GLY 25 N 1.88 0.78 -0.32 1.37 0.00 0.76 -2.33 103.07 105.20 2cr7 h GLY 25 Ca 0.59 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2cr7 h GLY 25 CO 1.44 0.20 -0.33 -1.14 0.00 0.00 0.00 176.54 176.70 2cr7 n SER 26 N -4.78 1.48 -4.16 0.19 3.41 -1.26 -4.60 113.62 103.90 2cr7 n SER 26 Ca 0.04 -1.19 -0.38 0.00 -0.26 0.00 0.00 58.87 57.09 2cr7 n SER 26 Cb 0.09 0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 2cr7 n SER 26 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2cr7 s ASP 27 N -2.47 6.28 0.44 4.04 1.01 -0.88 -4.87 116.67 120.22 2cr7 s ASP 27 Ca 0.22 -3.66 0.23 0.00 0.71 0.00 0.00 52.55 50.05 2cr7 s ASP 27 Cb 0.19 -1.98 0.98 0.00 1.01 0.00 0.00 42.92 43.12 2cr7 s ASP 27 CO 0.53 -0.21 1.86 1.55 0.21 0.00 0.00 175.17 179.11 2cr7 h PRO 28 N 6.20 0.00 0.51 8.23 0.13 -1.81 -3.12 132.00 142.13 2cr7 h PRO 28 Ca 0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 2cr7 h PRO 28 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2cr7 h PRO 28 CO 0.88 0.25 -0.24 0.00 -0.23 0.00 0.00 178.00 178.66 2cr7 h ALA 29 N 1.75 -0.68 -0.48 -0.56 0.00 -1.92 -1.45 119.26 115.92 2cr7 h ALA 29 Ca -0.00 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.77 2cr7 h ALA 29 Cb 0.68 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2cr7 h ALA 29 CO 0.03 -0.81 0.24 1.15 0.00 0.00 0.00 179.25 179.86 2cr7 h THR 30 N -0.83 0.96 -0.26 0.00 2.02 -1.94 -2.58 112.91 110.27 2cr7 h THR 30 Ca -0.07 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 66.99 2cr7 h THR 30 Cb 0.59 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2cr7 h THR 30 CO 0.11 0.09 0.01 0.22 0.37 0.00 0.00 175.52 176.32 2cr7 h TYR 31 N 0.47 0.01 -0.50 3.16 3.20 -1.51 -2.62 116.97 119.18 2cr7 h TYR 31 Ca 0.21 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.20 2cr7 h TYR 31 Cb 0.12 0.04 -0.10 0.00 1.54 0.00 0.00 36.73 38.32 2cr7 h TYR 31 CO -0.10 -0.03 -0.28 -0.91 -1.64 0.00 0.00 178.16 175.20 2cr7 h ASN 32 N 0.09 -0.95 -1.00 -2.11 2.35 -0.86 0.80 115.58 113.89 2cr7 h ASN 32 Ca 0.12 0.20 0.19 0.00 -0.55 0.00 0.00 56.30 56.27 2cr7 h ASN 32 Cb 0.15 0.49 -0.11 0.00 0.05 0.00 0.00 38.32 38.90 2cr7 h ASN 32 CO -0.20 -0.28 0.61 1.23 -1.65 0.00 0.00 177.43 177.14 2cr7 h GLY 33 N -0.16 1.76 1.03 2.83 0.00 -1.27 0.27 103.07 107.53 2cr7 h GLY 33 Ca 0.22 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 2cr7 h GLY 33 CO -0.60 -0.07 0.39 -2.75 0.00 0.00 0.00 176.54 173.51 2cr7 h PHE 34 N 0.74 1.17 0.24 5.60 3.57 -0.69 -2.95 116.94 124.61 2cr7 h PHE 34 Ca 0.58 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 62.01 2cr7 h PHE 34 Cb 0.94 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.32 2cr7 h PHE 34 CO -0.00 0.85 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.74 2cr7 h LEU 35 N 1.15 -0.28 -1.30 0.59 3.38 -0.43 -2.63 115.31 115.78 2cr7 h LEU 35 Ca 0.28 -0.07 0.30 0.00 0.09 0.00 0.00 57.88 58.48 2cr7 h LEU 35 Cb 0.12 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.83 2cr7 h LEU 35 CO -0.04 -0.11 0.69 -0.33 0.09 0.00 0.00 178.44 178.75 2cr7 h GLU 36 N -0.43 0.34 -0.52 1.13 5.08 -1.28 0.37 114.58 119.25 2cr7 h GLU 36 Ca -0.03 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2cr7 h GLU 36 Cb 0.33 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2cr7 h GLU 36 CO 0.05 0.22 -0.01 0.82 -1.00 0.00 0.00 179.01 179.10 2cr7 h ILE 37 N 0.35 1.26 0.29 3.13 2.04 -1.31 -3.19 117.51 120.08 2cr7 h ILE 37 Ca 0.66 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2cr7 h ILE 37 Cb 1.70 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 2cr7 h ILE 37 CO -0.37 0.39 -0.14 0.24 0.00 0.00 0.00 178.15 178.28 2cr7 h MET 38 N 0.80 -0.37 -1.61 2.37 2.86 -0.05 -2.27 114.93 116.66 2cr7 h MET 38 Ca 0.15 0.03 0.47 0.00 -2.06 0.00 0.00 59.70 58.28 2cr7 h MET 38 Cb 0.54 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.22 2cr7 h MET 38 CO 0.03 -0.22 1.21 0.87 1.06 0.00 0.00 176.91 179.86 2cr7 h LYS 39 N -0.43 0.00 0.35 1.72 1.57 -1.36 0.18 116.57 118.60 2cr7 h LYS 39 Ca -0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2cr7 h LYS 39 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2cr7 h LYS 39 CO 0.06 0.00 -0.17 0.93 -0.57 0.00 0.00 179.45 179.71 2cr7 h GLU 40 N 0.00 -0.45 0.00 3.15 5.08 -1.44 -2.81 114.58 118.11 2cr7 h GLU 40 Ca 0.76 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 59.15 2cr7 h GLU 40 Cb 3.17 0.10 0.00 0.00 0.50 0.00 0.00 28.75 32.52 2cr7 h GLU 40 CO -0.01 -0.16 0.12 0.35 -1.00 0.00 0.00 179.01 178.31 2cr7 h PHE 41 N -1.00 0.00 0.05 4.33 3.04 -0.64 0.14 116.94 122.87 2cr7 h PHE 41 Ca -0.05 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.81 2cr7 h PHE 41 Cb 0.50 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.02 2cr7 h PHE 41 CO 0.03 0.00 -0.40 -0.22 -2.02 0.00 0.00 178.31 175.70 2cr7 h LYS 42 N 0.00 0.18 -0.61 1.11 3.64 -1.22 -3.26 116.57 116.40 2cr7 h LYS 42 Ca 0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2cr7 h LYS 42 Cb 0.23 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2cr7 h LYS 42 CO 0.00 1.08 0.00 0.43 -2.27 0.00 0.00 179.45 178.69 2cr7 n SER 43 N -4.38 2.02 -3.27 4.20 7.64 -0.52 -4.86 113.62 114.46 2cr7 n SER 43 Ca -0.11 -2.18 -0.21 0.00 1.01 0.00 0.00 58.87 57.37 2cr7 n SER 43 Cb 0.63 -0.40 0.07 0.00 -1.01 0.00 0.00 64.21 63.50 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 0.20 -7.13 0.03 1.43 1.13 -0.85 -4.91 117.38 107.28 2cr7 n GLN 44 Ca 0.09 0.74 -0.04 0.00 -1.94 0.00 0.00 57.00 55.85 2cr7 n GLN 44 Cb 0.41 -5.53 -0.10 0.00 0.11 0.00 0.00 30.24 25.14 2cr7 n GLN 44 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2cr7 h SER 45 N -2.42 0.00 -4.30 1.08 0.02 -1.03 -3.48 113.55 103.42 2cr7 h SER 45 Ca -0.51 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.06 2cr7 h SER 45 Cb 1.33 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.73 2cr7 h SER 45 CO 0.50 0.79 -0.60 0.27 -1.14 0.00 0.00 176.83 176.65 2cr7 s ILE 46 N -2.78 0.62 0.38 3.27 -4.36 -1.25 -4.96 121.20 112.12 2cr7 s ILE 46 Ca -0.02 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.41 2cr7 s ILE 46 Cb 0.09 -2.63 0.03 0.00 1.25 0.00 0.00 42.46 41.20 2cr7 s ILE 46 CO 0.81 0.00 0.29 0.47 0.24 0.00 0.00 174.94 176.75 2cr7 n ASP 47 N -0.59 2.19 0.05 4.36 8.00 -1.26 -4.69 116.55 124.61 2cr7 n ASP 47 Ca -0.00 -2.30 -0.15 0.00 0.71 0.00 0.00 54.79 53.05 2cr7 n ASP 47 Cb 0.66 -0.04 -0.09 0.00 -0.02 0.00 0.00 41.12 41.64 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 0.60 0.04 0.00 -3.53 2.02 -1.98 -0.00 112.91 110.06 2cr7 h THR 48 Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2cr7 h THR 48 Cb 0.88 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2cr7 h THR 48 CO 0.37 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.45 2cr7 n PRO 49 N -5.46 0.07 0.19 6.66 -0.04 -1.26 -2.44 135.00 132.72 2cr7 n PRO 49 Ca -0.07 0.32 0.09 0.00 -0.04 0.00 0.00 63.50 63.81 2cr7 n PRO 49 Cb 0.39 -1.64 0.12 0.00 -0.04 0.00 0.00 33.50 32.32 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 2.34 0.00 1.05 0.55 0.00 -1.38 -3.11 103.07 102.52 2cr7 h GLY 50 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2cr7 h GLY 50 CO 0.00 0.00 -1.05 -0.24 0.00 0.00 0.00 176.54 175.25 2cr7 h VAL 51 N 0.00 0.13 0.17 4.60 3.04 -1.08 -3.35 116.25 119.76 2cr7 h VAL 51 Ca -0.01 -1.25 -0.26 0.00 -1.01 0.00 0.00 66.70 64.17 2cr7 h VAL 51 Cb 1.10 1.66 0.03 0.00 -2.01 0.00 0.00 31.29 32.07 2cr7 h VAL 51 CO 0.02 0.07 -1.14 0.40 -1.01 0.00 0.00 177.57 175.91 2cr7 h ILE 52 N 0.00 1.37 0.00 3.17 2.04 -1.59 -2.63 117.51 119.87 2cr7 h ILE 52 Ca -0.04 -2.54 -0.00 0.00 1.00 0.00 0.00 64.86 63.28 2cr7 h ILE 52 Cb 1.14 2.99 -0.00 0.00 -0.74 0.00 0.00 36.82 40.21 2cr7 h ILE 52 CO 0.01 0.75 -0.01 0.08 0.00 0.00 0.00 178.15 178.98 2cr7 h ARG 53 N -0.02 0.00 0.16 2.37 0.11 -1.69 0.21 114.38 115.51 2cr7 h ARG 53 Ca -0.19 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.54 2cr7 h ARG 53 Cb 1.87 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.95 2cr7 h ARG 53 CO 0.22 0.01 -1.77 0.00 0.10 0.00 0.00 179.97 178.53 2cr7 h ARG 54 N 0.00 0.33 -0.26 0.08 2.47 -1.68 -3.31 114.38 112.01 2cr7 h ARG 54 Ca -0.00 -0.56 -0.18 0.00 -1.26 0.00 0.00 59.98 57.97 2cr7 h ARG 54 Cb 0.04 0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2cr7 h ARG 54 CO 0.00 1.23 -0.56 0.28 0.56 0.00 0.00 179.97 181.49 2cr7 h VAL 55 N 0.09 1.28 0.00 2.04 2.07 -1.01 -2.63 116.25 118.10 2cr7 h VAL 55 Ca -0.34 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 65.42 2cr7 h VAL 55 Cb 2.07 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 33.51 2cr7 h VAL 55 CO 0.15 0.57 -0.02 0.77 0.02 0.00 0.00 177.57 179.06 2cr7 h SER 56 N 0.61 0.00 0.46 0.57 4.64 -0.77 -1.77 113.55 117.30 2cr7 h SER 56 Ca 0.01 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.03 2cr7 h SER 56 Cb 1.15 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2cr7 h SER 56 CO 0.12 0.02 -1.43 1.56 -0.87 0.00 0.00 176.83 176.23 2cr7 h GLN 57 N 0.00 0.33 -0.40 4.77 1.08 -1.61 -3.09 115.11 116.19 2cr7 h GLN 57 Ca -0.00 -0.57 -0.06 0.00 -1.45 0.00 0.00 58.65 56.57 2cr7 h GLN 57 Cb 0.04 0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 2cr7 h GLN 57 CO 0.00 1.24 -0.02 1.25 -0.95 0.00 0.00 178.83 180.36 2cr7 h LEU 58 N 0.09 0.62 -4.51 1.46 5.85 -0.99 -3.05 115.31 114.79 2cr7 h LEU 58 Ca -0.21 -0.14 -0.64 0.00 0.84 0.00 0.00 57.88 57.73 2cr7 h LEU 58 Cb 2.04 -0.16 -0.37 0.00 0.37 0.00 0.00 40.66 42.54 2cr7 h LEU 58 CO 0.20 0.70 -0.11 0.49 -0.34 0.00 0.00 178.44 179.38 2cr7 n PHE 59 N -4.24 3.19 0.34 1.25 3.72 -0.74 -4.74 117.46 116.25 2cr7 n PHE 59 Ca 0.02 -2.76 0.09 0.00 -0.05 0.00 0.00 57.45 54.74 2cr7 n PHE 59 Cb 0.28 -0.54 0.38 0.00 -0.94 0.00 0.00 39.48 38.67 2cr7 n PHE 59 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 2cr7 n HIS 60 N -0.56 0.43 -0.02 1.38 1.44 -1.15 -1.92 115.22 114.82 2cr7 n HIS 60 Ca 0.46 0.18 0.07 0.00 -2.01 0.00 0.00 57.72 56.42 2cr7 n HIS 60 Cb 0.58 -0.79 -0.15 0.00 0.12 0.00 0.00 29.99 29.75 2cr7 n HIS 60 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2cr7 n GLU 61 N -1.90 0.65 -3.58 -1.40 -0.58 -1.26 -4.74 120.64 107.83 2cr7 n GLU 61 Ca 0.02 -0.15 -0.39 0.00 -0.42 0.00 0.00 57.16 56.21 2cr7 n GLU 61 Cb 0.15 -1.46 -0.06 0.00 -0.57 0.00 0.00 31.44 29.51 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 -3.20 3.73 -0.75 -0.32 3.76 -0.81 -4.88 115.29 112.82 2cr7 s HIS 62 Ca -0.07 -2.69 0.19 0.00 -0.15 0.00 0.00 55.06 52.34 2cr7 s HIS 62 Cb 0.11 -3.40 0.79 0.00 1.11 0.00 0.00 32.58 31.19 2cr7 s HIS 62 CO 0.79 -0.84 1.58 -0.35 -0.85 0.00 0.00 174.74 175.06 2cr7 n PRO 63 N 3.08 0.09 0.09 8.40 -0.04 -1.26 -2.54 135.00 142.82 2cr7 n PRO 63 Ca 0.15 0.34 -0.11 0.00 -0.04 0.00 0.00 63.50 63.84 2cr7 n PRO 63 Cb 0.39 -1.68 -0.09 0.00 -0.04 0.00 0.00 33.50 32.09 2cr7 n PRO 63 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2cr7 h ASP 64 N 0.00 0.27 0.41 3.54 3.58 -1.92 -3.14 116.42 119.17 2cr7 h ASP 64 Ca 0.00 -0.26 -0.31 0.00 0.42 0.00 0.00 57.03 56.87 2cr7 h ASP 64 Cb 0.30 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.27 2cr7 h ASP 64 CO 0.00 1.15 -1.49 -0.07 -2.88 0.00 0.00 179.24 175.96 2cr7 h LEU 65 N 0.07 0.54 -1.57 2.28 3.38 -1.86 -2.70 115.31 115.45 2cr7 h LEU 65 Ca -0.07 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.24 2cr7 h LEU 65 Cb 1.76 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 2cr7 h LEU 65 CO 0.16 1.54 0.28 0.40 0.09 0.00 0.00 178.44 180.91 2cr7 h ILE 66 N 0.09 1.11 0.10 1.22 2.04 -1.61 -2.10 117.51 118.36 2cr7 h ILE 66 Ca -0.24 -0.21 -0.17 0.00 1.00 0.00 0.00 64.86 65.25 2cr7 h ILE 66 Cb 2.06 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2cr7 h ILE 66 CO 0.20 0.11 -0.78 0.58 0.00 0.00 0.00 178.15 178.26 2cr7 h VAL 67 N 0.58 1.45 -0.13 1.67 2.07 -1.63 -3.37 116.25 116.88 2cr7 h VAL 67 Ca 0.16 -2.46 0.05 0.00 0.82 0.00 0.00 66.70 65.27 2cr7 h VAL 67 Cb -0.06 3.10 -0.06 0.00 -1.52 0.00 0.00 31.29 32.75 2cr7 h VAL 67 CO -0.03 0.67 -0.32 1.23 0.02 0.00 0.00 177.57 179.14 2cr7 h GLY 68 N -0.46 -0.43 -0.52 2.17 0.00 -1.26 -1.41 103.07 101.16 2cr7 h GLY 68 Ca -0.15 0.39 0.05 0.00 0.00 0.00 0.00 47.33 47.61 2cr7 h GLY 68 CO 0.08 -0.22 -0.31 0.33 0.00 0.00 0.00 176.54 176.43 2cr7 n PHE 69 N -5.41 -0.23 0.01 5.60 7.35 -0.81 -0.14 117.46 123.84 2cr7 n PHE 69 Ca -0.03 0.65 -0.11 0.00 -0.76 0.00 0.00 57.45 57.20 2cr7 n PHE 69 Cb 0.32 -0.50 -0.06 0.00 0.35 0.00 0.00 39.48 39.59 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 0.00 -0.25 -2.13 2.35 -1.67 0.23 115.58 114.11 2cr7 h ASN 70 Ca 0.08 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.88 2cr7 h ASN 70 Cb 0.21 0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 2cr7 h ASN 70 CO -0.49 0.01 -0.43 0.00 -1.65 0.00 0.00 177.43 174.88 2cr7 h ALA 71 N 1.05 -0.71 0.61 -0.83 0.00 0.58 -2.94 119.26 117.02 2cr7 h ALA 71 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2cr7 h ALA 71 Cb 0.02 1.00 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2cr7 h ALA 71 CO -0.04 -0.90 -0.29 0.74 0.00 0.00 0.00 179.25 178.76 2cr7 h PHE 72 N -0.35 -0.76 -1.50 0.00 0.04 -0.48 -3.43 116.94 110.45 2cr7 h PHE 72 Ca 0.05 -0.02 -0.72 0.00 2.80 0.00 0.00 57.97 60.08 2cr7 h PHE 72 Cb 0.48 0.25 0.04 0.00 2.20 0.00 0.00 35.95 38.92 2cr7 h PHE 72 CO -0.66 -0.43 0.50 -0.11 -0.60 0.00 0.00 178.31 177.02 2cr7 n LEU 73 N -5.39 1.52 -4.77 1.54 7.94 0.82 -4.76 117.00 113.90 2cr7 n LEU 73 Ca -0.12 1.12 -0.36 0.00 -1.11 0.00 0.00 56.01 55.54 2cr7 n LEU 73 Cb 0.35 -1.12 -0.00 0.00 0.53 0.00 0.00 43.42 43.18 2cr7 n LEU 73 CO 0.34 -1.04 0.80 -2.16 -1.11 0.00 0.00 177.39 174.22 2cr7 s PRO 74 N 1.22 3.48 0.31 1.96 0.04 -1.26 -4.81 135.00 135.94 2cr7 s PRO 74 Ca 0.90 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 63.44 2cr7 s PRO 74 Cb -1.06 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.26 2cr7 s PRO 74 CO 0.55 -0.75 0.75 0.45 0.04 0.00 0.00 177.00 178.03 2cr7 s SER 75 N -1.64 6.83 -0.21 6.66 0.15 -1.26 -4.94 113.70 119.29 2cr7 s SER 75 Ca 0.70 1.33 -0.36 0.00 0.70 0.00 0.00 55.95 58.32 2cr7 s SER 75 Cb -0.25 -2.39 0.14 0.00 -1.71 0.00 0.00 66.02 61.81 2cr7 s SER 75 CO 0.29 -0.17 1.24 -0.83 1.20 0.00 0.00 173.24 174.97 2cr7 s GLY 76 N -2.16 -0.27 0.62 9.45 0.00 -1.26 -4.95 107.32 108.74 2cr7 s GLY 76 Ca 0.53 1.67 -0.17 0.00 0.00 0.00 0.00 44.72 46.75 2cr7 s GLY 76 CO 0.18 0.56 1.12 2.56 0.00 0.00 0.00 173.10 177.51 2cr7 s PRO 77 N -2.34 3.00 0.14 2.90 0.04 -1.26 -5.07 135.00 132.42 2cr7 s PRO 77 Ca 0.10 1.47 0.06 0.00 0.04 0.00 0.00 61.00 62.67 2cr7 s PRO 77 Cb -0.01 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2cr7 s PRO 77 CO -0.04 -1.10 -0.13 -1.54 0.04 0.00 0.00 177.00 174.22 2cr7 s SER 78 N -2.29 2.02 -1.27 6.66 1.04 -1.26 -5.07 113.70 113.53 2cr7 s SER 78 Ca 0.69 -0.88 -0.17 0.00 0.48 0.00 0.00 55.95 56.07 2cr7 s SER 78 Cb -0.22 -0.06 0.10 0.00 0.10 0.00 0.00 66.02 65.94 2cr7 s SER 78 CO 0.36 -0.19 1.65 -0.55 0.98 0.00 0.00 173.24 175.49 2cr7 s SER 79 N -2.72 6.91 0.00 7.02 0.15 -1.26 -5.10 113.70 118.69 2cr7 s SER 79 Ca 0.12 -2.61 0.24 0.00 0.70 0.00 0.00 55.95 54.40 2cr7 s SER 79 Cb -0.03 -2.53 0.19 0.00 -1.71 0.00 0.00 66.02 61.94 2cr7 s SER 79 CO 0.03 -1.05 1.25 0.61 1.20 0.00 0.00 173.24 175.29