#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 5.12 -0.17 1.61 0.01 -1.26 -5.08 113.70 113.94 2cr7 s SER 2 Ca 0.00 -0.18 -0.12 0.00 1.31 0.00 0.00 55.95 56.96 2cr7 s SER 2 Cb 0.00 -1.91 0.05 0.00 0.21 0.00 0.00 66.02 64.37 2cr7 s SER 2 CO 0.00 0.01 0.42 -0.55 0.41 0.00 0.00 173.24 173.53 2cr7 s SER 3 N 1.37 -0.49 0.00 2.44 0.15 -1.26 -5.11 113.70 110.80 2cr7 s SER 3 Ca 0.05 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.59 2cr7 s SER 3 Cb -0.15 0.84 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 2cr7 s SER 3 CO 0.03 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2cr7 n GLY 4 N 3.54 2.54 4.02 9.45 0.00 -1.26 -5.17 105.19 118.31 2cr7 n GLY 4 Ca -0.18 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 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 5.52 -0.12 1.61 0.01 -1.26 -5.09 113.70 114.38 2cr7 s SER 5 Ca 0.00 -0.51 -0.21 0.00 1.31 0.00 0.00 55.95 56.54 2cr7 s SER 5 Cb 0.00 -0.44 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 2cr7 s SER 5 CO 0.00 -0.91 0.59 -0.55 0.41 0.00 0.00 173.24 172.78 2cr7 s SER 6 N -4.43 6.79 -0.43 2.44 0.15 -1.26 -5.03 113.70 111.94 2cr7 s SER 6 Ca 0.57 0.95 0.02 0.00 0.70 0.00 0.00 55.95 58.19 2cr7 s SER 6 Cb -0.09 -2.34 0.14 0.00 -1.71 0.00 0.00 66.02 62.01 2cr7 s SER 6 CO 0.35 -0.09 0.23 -0.83 1.20 0.00 0.00 173.24 174.09 2cr7 s GLY 7 N 0.80 1.56 -0.13 9.45 0.00 -1.26 -5.10 107.32 112.64 2cr7 s GLY 7 Ca 0.31 -2.49 -0.03 0.00 0.00 0.00 0.00 44.72 42.51 2cr7 s GLY 7 CO 0.13 1.61 -0.02 -1.34 0.00 0.00 0.00 173.10 173.48 2cr7 s VAL 8 N 0.46 4.05 0.80 1.40 -7.23 -1.26 -5.12 120.40 113.50 2cr7 s VAL 8 Ca 0.18 -0.32 -0.05 0.00 -1.81 0.00 0.00 61.98 59.97 2cr7 s VAL 8 Cb -0.24 -2.74 0.16 0.00 0.56 0.00 0.00 36.38 34.11 2cr7 s VAL 8 CO 0.00 0.53 1.10 -1.38 -0.31 0.00 0.00 175.10 175.05 2cr7 s HIS 9 N -0.12 1.47 -0.48 2.82 0.00 -1.26 -4.37 115.29 113.36 2cr7 s HIS 9 Ca 0.03 -0.14 -0.25 0.00 -3.00 0.00 0.00 55.06 51.70 2cr7 s HIS 9 Cb -0.13 -3.33 0.03 0.00 -4.00 0.00 0.00 32.58 25.15 2cr7 s HIS 9 CO 0.02 -2.04 0.90 0.54 -1.00 0.00 0.00 174.74 173.16 2cr7 s VAL 10 N -3.38 4.49 -0.04 -5.38 0.11 -1.26 -4.80 120.40 110.14 2cr7 s VAL 10 Ca 0.69 0.59 0.07 0.00 -2.93 0.00 0.00 61.98 60.40 2cr7 s VAL 10 Cb -0.04 -4.43 -0.10 0.00 -1.53 0.00 0.00 36.38 30.27 2cr7 s VAL 10 CO 0.47 -0.87 0.10 -1.84 -3.33 0.00 0.00 175.10 169.63 2cr7 n GLU 11 N 7.14 1.43 -3.77 1.54 0.00 -1.26 -5.09 120.64 120.63 2cr7 n GLU 11 Ca 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 57.16 57.14 2cr7 n GLU 11 Cb 0.48 -1.17 -0.00 0.00 0.00 0.00 0.00 31.44 30.75 2cr7 n GLU 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2cr7 s ASP 12 N -3.28 -0.12 0.09 -1.84 1.01 -1.26 -5.10 116.67 106.18 2cr7 s ASP 12 Ca -0.03 -0.45 0.00 0.00 0.71 0.00 0.00 52.55 52.78 2cr7 s ASP 12 Cb 0.03 0.46 0.00 0.00 1.01 0.00 0.00 42.92 44.42 2cr7 s ASP 12 CO 0.29 -0.86 0.00 0.00 0.21 0.00 0.00 175.17 174.80 2cr7 n ALA 13 N -0.53 3.00 0.33 5.23 0.00 -1.26 -4.82 120.51 122.46 2cr7 n ALA 13 Ca -0.06 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.60 2cr7 n ALA 13 Cb 0.61 0.03 1.19 0.00 0.00 0.00 0.00 19.45 21.28 2cr7 n ALA 13 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2cr7 h LEU 14 N 0.00 0.00 -1.32 0.00 -0.00 -1.99 -2.40 115.31 109.60 2cr7 h LEU 14 Ca 0.00 0.00 0.25 0.00 -0.00 0.00 0.00 57.88 58.13 2cr7 h LEU 14 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 40.57 2cr7 h LEU 14 CO 0.00 0.00 0.65 0.74 -0.00 0.00 0.00 178.44 179.83 2cr7 h THR 15 N 0.00 0.55 0.20 0.15 2.02 -1.99 0.22 112.91 114.06 2cr7 h THR 15 Ca 0.00 -0.15 -0.33 0.00 0.77 0.00 0.00 66.41 66.70 2cr7 h THR 15 Cb 0.01 0.08 0.02 0.00 -1.74 0.00 0.00 68.15 66.52 2cr7 h THR 15 CO -0.00 0.08 -1.54 0.22 0.37 0.00 0.00 175.52 174.65 2cr7 h TYR 16 N 0.44 0.78 0.00 3.16 5.03 -1.79 -3.25 116.97 121.33 2cr7 h TYR 16 Ca 0.59 -0.57 0.00 0.00 2.58 0.00 0.00 58.73 61.33 2cr7 h TYR 16 Cb 1.41 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.66 2cr7 h TYR 16 CO -0.00 1.53 0.00 -0.11 -1.32 0.00 0.00 178.16 178.26 2cr7 n LEU 17 N -3.62 0.00 -0.04 2.82 0.00 -0.00 -3.13 117.00 113.03 2cr7 n LEU 17 Ca -0.18 0.47 -0.08 0.00 0.00 0.00 0.00 56.01 56.22 2cr7 n LEU 17 Cb 1.08 -0.47 -0.07 0.00 0.00 0.00 0.00 43.42 43.96 2cr7 n LEU 17 CO 0.56 -0.24 0.23 -0.78 0.00 0.00 0.00 177.39 177.17 2cr7 h ASP 18 N 0.00 -0.04 -0.86 1.96 1.82 -0.70 -2.71 116.42 115.89 2cr7 h ASP 18 Ca 0.00 -0.48 0.11 0.00 -0.39 0.00 0.00 57.03 56.27 2cr7 h ASP 18 Cb 0.23 0.01 -0.08 0.00 0.68 0.00 0.00 39.33 40.17 2cr7 h ASP 18 CO 0.00 0.68 0.49 0.06 -1.61 0.00 0.00 179.24 178.87 2cr7 h GLN 19 N -0.98 0.76 -0.33 0.28 3.07 -1.65 -0.12 115.11 116.15 2cr7 h GLN 19 Ca -0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 58.65 58.59 2cr7 h GLN 19 Cb 0.51 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.89 2cr7 h GLN 19 CO 0.01 0.50 -0.22 -0.24 0.09 0.00 0.00 178.83 178.97 2cr7 h VAL 20 N 0.79 1.27 -0.24 1.86 3.04 -1.68 0.11 116.25 121.40 2cr7 h VAL 20 Ca 0.43 -1.27 -0.12 0.00 -1.01 0.00 0.00 66.70 64.74 2cr7 h VAL 20 Cb 0.46 1.25 -0.01 0.00 -2.01 0.00 0.00 31.29 30.98 2cr7 h VAL 20 CO -0.28 0.42 -0.34 0.50 -1.01 0.00 0.00 177.57 176.86 2cr7 h LYS 21 N 0.55 0.51 0.00 4.17 3.64 -0.80 -3.03 116.57 121.61 2cr7 h LYS 21 Ca 0.08 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2cr7 h LYS 21 Cb 0.67 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2cr7 h LYS 21 CO 0.05 0.78 -0.02 0.82 -2.27 0.00 0.00 179.45 178.81 2cr7 h ILE 22 N 0.43 0.00 -1.54 2.00 2.04 -0.86 -3.33 117.51 116.25 2cr7 h ILE 22 Ca 0.05 -0.76 0.48 0.00 1.00 0.00 0.00 64.86 65.63 2cr7 h ILE 22 Cb 0.80 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.78 2cr7 h ILE 22 CO 0.06 0.00 1.06 -1.14 0.00 0.00 0.00 178.15 178.14 2cr7 n ARG 23 N -4.12 -0.02 -1.32 2.37 0.00 0.36 0.19 116.66 114.12 2cr7 n ARG 23 Ca -0.00 1.06 -0.30 0.00 -0.00 0.00 0.00 57.85 58.60 2cr7 n ARG 23 Cb 0.01 -2.26 0.05 0.00 0.00 0.00 0.00 32.46 30.26 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 -4.11 2.57 -1.61 -0.14 3.72 -1.15 -4.98 117.46 111.77 2cr7 n PHE 24 Ca 0.39 -2.53 -0.46 0.00 -0.05 0.00 0.00 57.45 54.80 2cr7 n PHE 24 Cb 1.64 -1.28 -0.04 0.00 -0.94 0.00 0.00 39.48 38.87 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 -0.33 1.24 2.26 1.37 0.00 0.50 -0.49 105.19 109.74 2cr7 n GLY 25 Ca 0.51 0.84 -0.11 0.00 0.00 0.00 0.00 46.02 47.26 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 9.15 -3.92 -3.75 1.61 7.64 -1.26 -4.96 113.62 118.12 2cr7 n SER 26 Ca 0.28 0.13 -0.29 0.00 1.01 0.00 0.00 58.87 60.00 2cr7 n SER 26 Cb 0.36 -2.76 -0.10 0.00 -1.01 0.00 0.00 64.21 60.70 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 0.10 3.50 0.16 6.43 -0.08 0.36 -4.89 116.55 122.13 2cr7 n ASP 27 Ca -0.12 -3.30 0.01 0.00 -1.51 0.00 0.00 54.79 49.87 2cr7 n ASP 27 Cb 0.48 -0.77 0.27 0.00 2.34 0.00 0.00 41.12 43.44 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 5.01 0.00 0.22 -0.67 0.13 -1.93 -2.70 132.00 132.05 2cr7 h PRO 28 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2cr7 h PRO 28 Cb 0.72 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 2cr7 h PRO 28 CO 0.79 0.48 -0.43 0.00 -0.23 0.00 0.00 178.00 178.62 2cr7 h ALA 29 N 1.52 -0.98 0.29 -0.56 0.00 -1.97 0.63 119.26 118.18 2cr7 h ALA 29 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2cr7 h ALA 29 Cb 0.86 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2cr7 h ALA 29 CO 0.06 -1.06 -0.14 1.15 0.00 0.00 0.00 179.25 179.27 2cr7 h THR 30 N -0.70 0.73 -0.99 0.00 2.02 -1.98 -3.03 112.91 108.96 2cr7 h THR 30 Ca -0.02 -0.63 0.23 0.00 0.77 0.00 0.00 66.41 66.76 2cr7 h THR 30 Cb 0.66 1.05 -0.09 0.00 -1.74 0.00 0.00 68.15 68.03 2cr7 h THR 30 CO -0.16 0.12 0.63 0.22 0.37 0.00 0.00 175.52 176.70 2cr7 h TYR 31 N -0.74 0.74 0.74 3.16 3.20 -1.47 -2.12 116.97 120.47 2cr7 h TYR 31 Ca -0.04 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 2cr7 h TYR 31 Cb 0.50 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2cr7 h TYR 31 CO 0.03 0.13 -0.41 -0.91 -1.64 0.00 0.00 178.16 175.36 2cr7 h ASN 32 N 0.50 -1.01 -0.98 -2.11 2.35 0.36 -2.81 115.58 111.87 2cr7 h ASN 32 Ca 0.56 0.05 0.33 0.00 -0.55 0.00 0.00 56.30 56.69 2cr7 h ASN 32 Cb 1.25 0.28 -0.17 0.00 0.05 0.00 0.00 38.32 39.73 2cr7 h ASN 32 CO -0.29 -0.66 0.32 1.23 -1.65 0.00 0.00 177.43 176.39 2cr7 h GLY 33 N -1.06 1.78 0.78 2.83 0.00 -1.27 0.77 103.07 106.90 2cr7 h GLY 33 Ca -0.10 -0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.24 2cr7 h GLY 33 CO 0.13 -0.62 0.48 -2.75 0.00 0.00 0.00 176.54 173.78 2cr7 h PHE 34 N 0.06 0.88 -0.48 5.60 3.57 -1.36 -1.26 116.94 123.96 2cr7 h PHE 34 Ca 0.71 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 62.16 2cr7 h PHE 34 Cb 1.69 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 40.12 2cr7 h PHE 34 CO -0.21 0.47 0.00 -0.07 -2.23 0.00 0.00 178.31 176.27 2cr7 h LEU 35 N 0.90 0.82 -1.59 0.59 3.38 0.70 -2.20 115.31 117.90 2cr7 h LEU 35 Ca 0.33 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2cr7 h LEU 35 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2cr7 h LEU 35 CO -0.15 0.93 0.05 -0.33 0.09 0.00 0.00 178.44 179.03 2cr7 h GLU 36 N 0.69 0.31 -0.14 1.13 5.08 -0.74 -1.47 114.58 119.45 2cr7 h GLU 36 Ca 0.14 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 2cr7 h GLU 36 Cb 0.50 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2cr7 h GLU 36 CO 0.02 0.30 -0.74 0.82 -1.00 0.00 0.00 179.01 178.41 2cr7 h ILE 37 N 0.31 1.31 -0.38 3.13 2.04 -0.96 -3.23 117.51 119.73 2cr7 h ILE 37 Ca 0.08 -2.00 -0.07 0.00 1.00 0.00 0.00 64.86 63.87 2cr7 h ILE 37 Cb 0.13 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 2cr7 h ILE 37 CO -0.00 0.63 -0.04 0.24 0.00 0.00 0.00 178.15 178.97 2cr7 h MET 38 N 0.47 0.70 -0.98 2.37 2.86 -0.86 -2.99 114.93 116.51 2cr7 h MET 38 Ca -0.04 -0.25 0.19 0.00 -2.06 0.00 0.00 59.70 57.55 2cr7 h MET 38 Cb 1.35 -0.05 -0.11 0.00 0.06 0.00 0.00 31.60 32.85 2cr7 h MET 38 CO 0.15 0.83 0.57 0.87 1.06 0.00 0.00 176.91 180.39 2cr7 h LYS 39 N 0.52 0.68 -0.67 1.72 1.57 -1.32 0.71 116.57 119.77 2cr7 h LYS 39 Ca 0.10 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2cr7 h LYS 39 Cb 0.54 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 2cr7 h LYS 39 CO 0.03 0.45 0.41 0.93 -0.57 0.00 0.00 179.45 180.70 2cr7 h GLU 40 N 0.70 0.77 -0.05 3.15 4.39 -1.54 -1.78 114.58 120.22 2cr7 h GLU 40 Ca 0.57 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 60.10 2cr7 h GLU 40 Cb 0.93 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2cr7 h GLU 40 CO -0.40 0.51 -0.55 0.35 -1.16 0.00 0.00 179.01 177.76 2cr7 h PHE 41 N 0.79 0.17 -0.80 4.33 3.04 -0.97 0.54 116.94 124.05 2cr7 h PHE 41 Ca 0.27 -0.06 -0.03 0.00 3.98 0.00 0.00 57.97 62.13 2cr7 h PHE 41 Cb 0.05 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.49 2cr7 h PHE 41 CO -0.05 0.65 0.36 0.87 -2.02 0.00 0.00 178.31 178.12 2cr7 h LYS 42 N 0.11 1.17 -0.60 1.11 1.79 -0.26 -1.59 116.57 118.29 2cr7 h LYS 42 Ca -0.00 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2cr7 h LYS 42 Cb 1.00 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 2cr7 h LYS 42 CO 0.08 0.92 0.00 0.45 -1.08 0.00 0.00 179.45 179.81 2cr7 n SER 43 N -4.33 2.06 -2.42 0.86 2.88 -0.83 -4.86 113.62 106.99 2cr7 n SER 43 Ca 0.07 -2.18 -0.19 0.00 -1.33 0.00 0.00 58.87 55.24 2cr7 n SER 43 Cb 0.15 -0.39 0.01 0.00 -0.75 0.00 0.00 64.21 63.23 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 0.22 -2.92 -0.07 -1.46 1.13 -0.60 -4.91 117.38 108.76 2cr7 n GLN 44 Ca 0.09 0.87 -0.16 0.00 -1.94 0.00 0.00 57.00 55.86 2cr7 n GLN 44 Cb 0.42 -5.47 -0.13 0.00 0.11 0.00 0.00 30.24 25.17 2cr7 n GLN 44 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2cr7 h SER 45 N -0.61 0.01 -1.39 1.08 0.87 -0.08 -3.48 113.55 109.95 2cr7 h SER 45 Ca -0.46 -0.90 -0.54 0.00 -1.23 0.00 0.00 61.79 58.65 2cr7 h SER 45 Cb 1.33 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.23 2cr7 h SER 45 CO 0.52 1.10 -0.42 0.27 -0.53 0.00 0.00 176.83 177.77 2cr7 s ILE 46 N -2.25 2.31 0.50 2.23 -4.36 -1.17 -4.96 121.20 113.50 2cr7 s ILE 46 Ca -0.21 -1.54 0.05 0.00 -0.26 0.00 0.00 60.65 58.69 2cr7 s ILE 46 Cb -0.01 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.85 2cr7 s ILE 46 CO 0.67 0.00 0.28 -1.81 0.24 0.00 0.00 174.94 174.32 2cr7 s ASP 47 N -4.04 4.51 0.15 4.36 1.01 -1.26 -4.64 116.67 116.76 2cr7 s ASP 47 Ca 0.42 -1.26 -0.30 0.00 0.71 0.00 0.00 52.55 52.13 2cr7 s ASP 47 Cb 0.00 0.17 -0.04 0.00 1.01 0.00 0.00 42.92 44.07 2cr7 s ASP 47 CO 0.24 -0.90 1.55 0.74 0.21 0.00 0.00 175.17 177.01 2cr7 h THR 48 N 1.03 0.03 0.00 -1.27 2.02 -2.01 0.70 112.91 113.41 2cr7 h THR 48 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.78 2cr7 h THR 48 Cb 1.29 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 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 0.04 6.66 -0.04 -1.26 -2.69 135.00 132.52 2cr7 n PRO 49 Ca -0.00 0.16 -0.14 0.00 -0.04 0.00 0.00 63.50 63.48 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 0.78 -0.04 0.00 0.00 175.50 176.24 2cr7 h GLY 50 N 2.43 0.18 2.00 0.55 0.00 0.01 -3.28 103.07 104.97 2cr7 h GLY 50 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 2cr7 h GLY 50 CO 0.00 0.40 -0.46 -0.24 0.00 0.00 0.00 176.54 176.24 2cr7 h VAL 51 N 0.04 0.90 -0.28 4.60 3.04 -1.14 -3.23 116.25 120.18 2cr7 h VAL 51 Ca -0.24 -1.94 -0.19 0.00 -1.01 0.00 0.00 66.70 63.32 2cr7 h VAL 51 Cb 1.98 2.21 0.00 0.00 -2.01 0.00 0.00 31.29 33.48 2cr7 h VAL 51 CO 0.13 0.45 -0.55 0.40 -1.01 0.00 0.00 177.57 176.99 2cr7 h ILE 52 N 0.00 1.28 -0.67 3.17 2.04 -1.67 -2.31 117.51 119.35 2cr7 h ILE 52 Ca -0.00 -1.74 0.05 0.00 1.00 0.00 0.00 64.86 64.16 2cr7 h ILE 52 Cb 1.18 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.85 2cr7 h ILE 52 CO 0.06 0.57 0.39 -0.09 0.00 0.00 0.00 178.15 179.07 2cr7 h ARG 53 N 0.65 0.71 0.40 2.37 2.43 -1.61 -0.93 114.38 118.40 2cr7 h ARG 53 Ca 0.01 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2cr7 h ARG 53 Cb 1.16 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2cr7 h ARG 53 CO 0.12 0.47 -0.19 0.00 -1.51 0.00 0.00 179.97 178.86 2cr7 h ARG 54 N 0.73 -0.52 -0.87 0.20 2.47 -1.62 -3.30 114.38 111.47 2cr7 h ARG 54 Ca 0.29 0.04 0.16 0.00 -1.26 0.00 0.00 59.98 59.21 2cr7 h ARG 54 Cb 0.13 0.12 -0.16 0.00 -1.65 0.00 0.00 29.97 28.41 2cr7 h ARG 54 CO -0.16 -0.34 -0.27 0.28 0.56 0.00 0.00 179.97 180.04 2cr7 h VAL 55 N -0.88 0.10 -0.93 2.04 2.07 -1.39 0.23 116.25 117.49 2cr7 h VAL 55 Ca -0.05 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.72 2cr7 h VAL 55 Cb 0.41 0.10 -0.17 0.00 -1.52 0.00 0.00 31.29 30.11 2cr7 h VAL 55 CO 0.09 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.48 2cr7 n SER 56 N -5.53 -0.12 -0.06 0.57 7.64 -0.36 0.11 113.62 115.87 2cr7 n SER 56 Ca 0.12 1.58 -0.16 0.00 1.01 0.00 0.00 58.87 61.42 2cr7 n SER 56 Cb 0.43 -0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 63.00 2cr7 n SER 56 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2cr7 h GLN 57 N 0.00 0.79 -0.15 1.43 1.08 -0.64 -2.23 115.11 115.39 2cr7 h GLN 57 Ca 0.56 -0.55 0.04 0.00 -1.45 0.00 0.00 58.65 57.25 2cr7 h GLN 57 Cb 1.13 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.60 2cr7 h GLN 57 CO -0.88 1.17 -0.12 1.25 -0.95 0.00 0.00 178.83 179.30 2cr7 h LEU 58 N 0.54 -0.38 -3.98 1.46 5.85 0.14 -2.13 115.31 116.80 2cr7 h LEU 58 Ca -0.01 0.08 -0.62 0.00 0.84 0.00 0.00 57.88 58.17 2cr7 h LEU 58 Cb 1.19 0.19 -0.30 0.00 0.37 0.00 0.00 40.66 42.12 2cr7 h LEU 58 CO 0.12 -0.16 0.76 0.49 -0.34 0.00 0.00 178.44 179.32 2cr7 n PHE 59 N -5.27 3.15 -0.28 1.25 3.72 0.11 -4.63 117.46 115.51 2cr7 n PHE 59 Ca -0.03 -2.66 0.08 0.00 -0.05 0.00 0.00 57.45 54.79 2cr7 n PHE 59 Cb 0.19 -1.27 0.31 0.00 -0.94 0.00 0.00 39.48 37.77 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 1.71 0.92 0.00 1.38 2.07 -0.73 0.35 115.15 120.84 2cr7 h HIS 60 Ca 0.61 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 58.15 2cr7 h HIS 60 Cb 1.42 -0.30 0.00 0.00 2.57 0.00 0.00 27.41 31.11 2cr7 h HIS 60 CO 1.46 0.42 0.00 0.39 -3.07 0.00 0.00 177.93 177.13 2cr7 n GLU 61 N -4.53 0.44 -3.71 5.12 1.02 -1.26 -4.26 120.64 113.47 2cr7 n GLU 61 Ca 0.15 0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 57.03 2cr7 n GLU 61 Cb 0.33 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.12 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 -2.50 2.26 -0.21 -0.32 3.76 0.12 -4.94 115.29 113.46 2cr7 s HIS 62 Ca 0.27 -2.67 0.28 0.00 -0.15 0.00 0.00 55.06 52.79 2cr7 s HIS 62 Cb 0.18 -1.94 1.17 0.00 1.11 0.00 0.00 32.58 33.10 2cr7 s HIS 62 CO 0.40 -0.73 1.84 -1.00 -0.85 0.00 0.00 174.74 174.40 2cr7 h PRO 63 N 6.15 0.00 0.11 8.40 0.13 -1.74 -2.80 132.00 142.26 2cr7 h PRO 63 Ca 0.08 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.93 2cr7 h PRO 63 Cb 0.88 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.03 2cr7 h PRO 63 CO 0.53 0.00 -1.21 0.22 -0.23 0.00 0.00 178.00 177.31 2cr7 h ASP 64 N 0.00 0.68 0.11 1.44 1.82 -1.92 -3.07 116.42 115.49 2cr7 h ASP 64 Ca 0.00 -0.64 -0.22 0.00 -0.39 0.00 0.00 57.03 55.78 2cr7 h ASP 64 Cb 0.41 -0.21 0.01 0.00 0.68 0.00 0.00 39.33 40.21 2cr7 h ASP 64 CO 0.00 1.47 -0.84 -0.07 -1.61 0.00 0.00 179.24 178.20 2cr7 h LEU 65 N 0.20 0.70 -0.12 2.28 3.38 -1.86 -2.24 115.31 117.64 2cr7 h LEU 65 Ca -0.16 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2cr7 h LEU 65 Cb 1.89 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 2cr7 h LEU 65 CO 0.22 1.27 0.07 0.40 0.09 0.00 0.00 178.44 180.50 2cr7 h ILE 66 N 0.37 1.04 -0.44 1.22 2.04 -1.59 -2.79 117.51 117.36 2cr7 h ILE 66 Ca -0.06 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 2cr7 h ILE 66 Cb 1.45 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2cr7 h ILE 66 CO 0.16 0.04 -0.08 0.58 0.00 0.00 0.00 178.15 178.85 2cr7 h VAL 67 N 0.14 1.27 -0.71 1.67 2.07 -1.60 -3.14 116.25 115.95 2cr7 h VAL 67 Ca 0.04 -1.17 0.16 0.00 0.82 0.00 0.00 66.70 66.55 2cr7 h VAL 67 Cb 0.00 1.13 -0.12 0.00 -1.52 0.00 0.00 31.29 30.79 2cr7 h VAL 67 CO -0.01 0.40 0.09 1.23 0.02 0.00 0.00 177.57 179.30 2cr7 h GLY 68 N 0.67 0.89 0.49 2.17 0.00 -1.23 -1.12 103.07 104.94 2cr7 h GLY 68 Ca 0.12 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.52 2cr7 h GLY 68 CO 0.04 -0.23 -0.18 -2.75 0.00 0.00 0.00 176.54 173.42 2cr7 h PHE 69 N 0.18 -0.46 0.31 5.60 3.57 -1.45 0.39 116.94 125.09 2cr7 h PHE 69 Ca 0.39 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 2cr7 h PHE 69 Cb 0.68 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 2cr7 h PHE 69 CO -0.33 -0.25 -0.25 -0.91 -2.23 0.00 0.00 178.31 174.34 2cr7 h ASN 70 N -0.26 -0.65 -0.11 0.41 4.21 -1.30 0.37 115.58 118.26 2cr7 h ASN 70 Ca 0.08 0.05 0.04 0.00 1.21 0.00 0.00 56.30 57.67 2cr7 h ASN 70 Cb 0.36 0.20 -0.06 0.00 -1.12 0.00 0.00 38.32 37.70 2cr7 h ASN 70 CO -0.22 -0.35 -0.42 0.00 -1.29 0.00 0.00 177.43 175.16 2cr7 h ALA 71 N -1.43 -0.60 0.19 -0.83 0.00 -1.20 -2.88 119.26 112.50 2cr7 h ALA 71 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2cr7 h ALA 71 Cb 0.45 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2cr7 h ALA 71 CO 0.01 -0.93 -0.44 0.35 0.00 0.00 0.00 179.25 178.24 2cr7 h PHE 72 N -0.51 -1.26 -0.87 0.00 3.57 -0.19 -3.42 116.94 114.26 2cr7 h PHE 72 Ca 0.07 0.03 -0.77 0.00 3.53 0.00 0.00 57.97 60.83 2cr7 h PHE 72 Cb 0.63 0.52 0.01 0.00 2.79 0.00 0.00 35.95 39.90 2cr7 h PHE 72 CO -0.47 -0.52 0.60 -0.11 -2.23 0.00 0.00 178.31 175.58 2cr7 n LEU 73 N -4.98 1.05 -4.75 0.59 7.94 0.13 -4.83 117.00 112.16 2cr7 n LEU 73 Ca -0.08 1.04 -0.41 0.00 -1.11 0.00 0.00 56.01 55.45 2cr7 n LEU 73 Cb 0.36 -0.77 -0.03 0.00 0.53 0.00 0.00 43.42 43.51 2cr7 n LEU 73 CO 0.15 -0.74 0.95 -2.16 -1.11 0.00 0.00 177.39 174.49 2cr7 s PRO 74 N 2.61 4.42 0.55 1.96 0.04 -1.26 -4.93 135.00 138.39 2cr7 s PRO 74 Ca 0.92 2.05 0.09 0.00 0.04 0.00 0.00 61.00 64.10 2cr7 s PRO 74 Cb -1.31 -3.17 0.07 0.00 0.04 0.00 0.00 34.50 30.13 2cr7 s PRO 74 CO 0.72 -0.17 0.72 -1.12 0.04 0.00 0.00 177.00 177.19 2cr7 s SER 75 N -0.02 5.13 0.00 6.66 0.01 -1.26 -5.03 113.70 119.18 2cr7 s SER 75 Ca 0.53 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2cr7 s SER 75 Cb -0.36 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2cr7 s SER 75 CO 0.42 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.44 2cr7 n GLY 76 N -2.14 -1.86 3.69 3.44 0.00 -1.26 -4.94 105.19 102.12 2cr7 n GLY 76 Ca 0.13 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 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 0.00 4.27 0.24 1.61 0.04 -1.26 -5.00 135.00 134.90 2cr7 s PRO 77 Ca 0.00 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 62.99 2cr7 s PRO 77 Cb 0.00 -3.58 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 2cr7 s PRO 77 CO 0.00 -0.60 0.36 -1.12 0.04 0.00 0.00 177.00 175.68 2cr7 s SER 78 N 1.96 0.12 -0.10 6.66 0.01 -1.26 -5.16 113.70 115.93 2cr7 s SER 78 Ca 0.65 -1.15 0.03 0.00 1.31 0.00 0.00 55.95 56.79 2cr7 s SER 78 Cb -0.33 0.53 -0.01 0.00 0.21 0.00 0.00 66.02 66.42 2cr7 s SER 78 CO 0.27 -1.06 -0.19 -0.94 0.41 0.00 0.00 173.24 171.74 2cr7 s SER 79 N -3.09 3.56 0.00 2.44 1.04 -1.26 -5.27 113.70 111.12 2cr7 s SER 79 Ca 0.29 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2cr7 s SER 79 Cb 0.02 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.82 2cr7 s SER 79 CO 0.12 0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.14