#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 6.85 -1.66 1.61 0.15 -1.26 -3.16 113.70 116.23 2cr7 s SER 2 Ca 0.00 2.07 -0.15 0.00 0.70 0.00 0.00 55.95 58.57 2cr7 s SER 2 Cb 0.00 -2.56 0.13 0.00 -1.71 0.00 0.00 66.02 61.88 2cr7 s SER 2 CO 0.00 -0.74 0.69 -1.20 1.20 0.00 0.00 173.24 173.19 2cr7 n SER 3 N 5.64 -2.57 -2.73 5.45 7.64 -1.26 -4.85 113.62 120.95 2cr7 n SER 3 Ca 0.13 -1.03 -0.06 0.00 1.01 0.00 0.00 58.87 58.93 2cr7 n SER 3 Cb 0.44 -2.71 0.05 0.00 -1.01 0.00 0.00 64.21 60.97 2cr7 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr7 n GLY 4 N -1.54 1.61 3.30 0.23 0.00 -1.19 -5.12 105.19 102.49 2cr7 n GLY 4 Ca -0.00 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 2cr7 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cr7 n SER 5 N -0.33 -2.95 -4.52 1.61 3.41 -1.26 -4.29 113.62 105.30 2cr7 n SER 5 Ca 0.07 0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 58.79 2cr7 n SER 5 Cb 0.82 -1.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.73 2cr7 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cr7 s SER 6 N -1.21 6.27 0.61 4.04 0.15 -1.26 -4.93 113.70 117.38 2cr7 s SER 6 Ca 0.58 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2cr7 s SER 6 Cb -0.37 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 2cr7 s SER 6 CO 0.65 -1.44 0.00 0.61 1.20 0.00 0.00 173.24 174.27 2cr7 n GLY 7 N 5.22 1.22 3.44 9.45 0.00 -1.26 -4.83 105.19 118.42 2cr7 n GLY 7 Ca 0.01 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 2cr7 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr7 s VAL 8 N 0.00 -0.00 -0.75 1.61 0.11 -1.26 -5.09 120.40 115.02 2cr7 s VAL 8 Ca 0.00 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 2cr7 s VAL 8 Cb 0.00 -0.75 0.19 0.00 -1.53 0.00 0.00 36.38 34.29 2cr7 s VAL 8 CO 0.00 0.00 0.71 -1.38 -3.33 0.00 0.00 175.10 171.11 2cr7 s HIS 9 N 0.39 3.56 -0.27 1.54 -3.43 -1.26 -4.98 115.29 110.84 2cr7 s HIS 9 Ca -0.01 -1.73 -0.26 0.00 -0.80 0.00 0.00 55.06 52.26 2cr7 s HIS 9 Cb -0.04 -3.85 0.16 0.00 -1.43 0.00 0.00 32.58 27.42 2cr7 s HIS 9 CO -0.01 -1.04 1.24 0.54 -2.00 0.00 0.00 174.74 173.48 2cr7 s VAL 10 N 0.79 0.00 -0.80 -5.38 0.11 -1.26 -5.11 120.40 108.76 2cr7 s VAL 10 Ca 0.14 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.14 2cr7 s VAL 10 Cb -0.16 -1.00 0.20 0.00 -1.53 0.00 0.00 36.38 33.90 2cr7 s VAL 10 CO -0.05 0.00 0.68 -0.70 -3.33 0.00 0.00 175.10 171.69 2cr7 s GLU 11 N -0.20 3.17 0.03 1.54 2.56 -1.26 -5.01 118.70 119.53 2cr7 s GLU 11 Ca 0.05 -2.79 -0.28 0.00 0.00 0.00 0.00 54.97 51.94 2cr7 s GLU 11 Cb -0.04 -4.04 0.09 0.00 2.00 0.00 0.00 34.13 32.15 2cr7 s GLU 11 CO -0.09 -1.23 0.99 -0.51 -0.56 0.00 0.00 175.26 173.85 2cr7 s ASP 12 N 0.85 -0.25 0.15 -1.70 1.01 -1.26 -5.10 116.67 110.38 2cr7 s ASP 12 Ca 0.21 -0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.32 2cr7 s ASP 12 Cb -0.13 0.37 0.00 0.00 1.01 0.00 0.00 42.92 44.17 2cr7 s ASP 12 CO -0.08 -0.64 0.00 0.00 0.21 0.00 0.00 175.17 174.66 2cr7 n ALA 13 N -0.33 3.00 -0.15 5.23 0.00 -1.26 -4.78 120.51 122.22 2cr7 n ALA 13 Ca -0.07 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.65 2cr7 n ALA 13 Cb 0.61 0.16 0.72 0.00 0.00 0.00 0.00 19.45 20.94 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 -0.86 0.00 8.10 -2.00 -2.00 115.31 118.56 2cr7 h LEU 14 Ca 0.00 0.00 0.32 0.00 0.11 0.00 0.00 57.88 58.31 2cr7 h LEU 14 Cb 0.00 0.00 -0.16 0.00 -0.44 0.00 0.00 40.66 40.06 2cr7 h LEU 14 CO 0.00 0.00 0.31 1.07 -4.11 0.00 0.00 178.44 175.71 2cr7 n THR 15 N -4.24 -0.36 0.07 0.15 5.66 -1.26 0.87 114.28 115.17 2cr7 n THR 15 Ca 0.17 1.79 -0.22 0.00 -3.05 0.00 0.00 64.05 62.74 2cr7 n THR 15 Cb 0.92 -2.80 -0.15 0.00 -1.55 0.00 0.00 70.33 66.75 2cr7 n THR 15 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 175.07 172.24 2cr7 h TYR 16 N 0.00 0.68 -0.60 1.09 5.03 -1.72 -3.36 116.97 118.08 2cr7 h TYR 16 Ca 0.66 -0.49 0.11 0.00 2.58 0.00 0.00 58.73 61.58 2cr7 h TYR 16 Cb 1.64 -0.03 -0.12 0.00 1.55 0.00 0.00 36.73 39.78 2cr7 h TYR 16 CO -0.15 1.45 -0.32 1.25 -1.32 0.00 0.00 178.16 179.07 2cr7 h LEU 17 N -0.18 -1.11 -0.99 2.82 7.12 0.39 0.17 115.31 123.53 2cr7 h LEU 17 Ca -0.22 0.23 0.37 0.00 0.13 0.00 0.00 57.88 58.39 2cr7 h LEU 17 Cb 1.85 0.56 -0.18 0.00 -0.53 0.00 0.00 40.66 42.36 2cr7 h LEU 17 CO 0.18 -0.30 0.36 -0.67 -0.13 0.00 0.00 178.44 177.88 2cr7 n ASP 18 N -5.44 0.19 -0.05 1.25 -0.08 -0.52 0.20 116.55 112.10 2cr7 n ASP 18 Ca 0.05 1.66 -0.09 0.00 -1.51 0.00 0.00 54.79 54.90 2cr7 n ASP 18 Cb 0.36 -0.74 -0.02 0.00 2.34 0.00 0.00 41.12 43.06 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 -0.27 -0.26 -0.67 1.08 -0.85 -0.50 115.11 113.65 2cr7 h GLN 19 Ca 0.76 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 58.04 2cr7 h GLN 19 Cb 1.89 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 29.31 2cr7 h GLN 19 CO -0.82 -0.18 -0.24 0.28 -0.95 0.00 0.00 178.83 176.92 2cr7 h VAL 20 N -0.28 0.40 -0.54 -0.54 2.07 -0.30 0.13 116.25 117.19 2cr7 h VAL 20 Ca 0.14 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.74 2cr7 h VAL 20 Cb 0.50 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 2cr7 h VAL 20 CO -0.41 0.00 0.16 0.50 0.02 0.00 0.00 177.57 177.84 2cr7 h LYS 21 N -0.24 0.31 -0.03 1.57 3.64 -1.24 0.59 116.57 121.17 2cr7 h LYS 21 Ca 0.14 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2cr7 h LYS 21 Cb 0.45 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2cr7 h LYS 21 CO -0.39 0.21 0.02 0.82 -2.27 0.00 0.00 179.45 177.83 2cr7 h ILE 22 N 0.32 1.05 -0.04 2.00 2.04 -0.18 -1.39 117.51 121.31 2cr7 h ILE 22 Ca 0.27 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 66.01 2cr7 h ILE 22 Cb 0.33 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2cr7 h ILE 22 CO -0.30 0.04 -0.09 -0.09 0.00 0.00 0.00 178.15 177.71 2cr7 h ARG 23 N -0.00 -0.14 -1.35 2.37 1.12 -0.22 -2.20 114.38 113.96 2cr7 h ARG 23 Ca 0.01 0.01 -0.42 0.00 -1.11 0.00 0.00 59.98 58.48 2cr7 h ARG 23 Cb 0.05 0.03 -0.18 0.00 -0.01 0.00 0.00 29.97 29.86 2cr7 h ARG 23 CO -0.00 -0.09 0.54 1.19 -3.11 0.00 0.00 179.97 178.50 2cr7 n PHE 24 N -5.22 2.01 -0.19 2.20 3.72 0.15 -4.56 117.46 115.56 2cr7 n PHE 24 Ca -0.05 -2.20 -0.07 0.00 -0.05 0.00 0.00 57.45 55.08 2cr7 n PHE 24 Cb 0.15 -1.07 0.02 0.00 -0.94 0.00 0.00 39.48 37.64 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 2.36 0.80 0.29 1.37 0.00 -0.58 -2.63 103.07 104.68 2cr7 h GLY 25 Ca 0.38 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2cr7 h GLY 25 CO 0.97 0.34 -0.43 -1.14 0.00 0.00 0.00 176.54 176.28 2cr7 n SER 26 N -4.64 0.99 -4.05 0.19 3.41 -1.26 -4.55 113.62 103.71 2cr7 n SER 26 Ca 0.03 -0.79 -0.34 0.00 -0.26 0.00 0.00 58.87 57.52 2cr7 n SER 26 Cb 0.07 0.29 -0.08 0.00 -0.26 0.00 0.00 64.21 64.23 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 -2.69 5.62 0.44 4.04 1.01 -0.99 -4.89 116.67 119.21 2cr7 s ASP 27 Ca 0.18 -3.71 0.23 0.00 0.71 0.00 0.00 52.55 49.96 2cr7 s ASP 27 Cb 0.18 -1.83 0.97 0.00 1.01 0.00 0.00 42.92 43.25 2cr7 s ASP 27 CO 0.61 -0.16 1.86 1.55 0.21 0.00 0.00 175.17 179.24 2cr7 h PRO 28 N 5.90 0.00 0.16 8.23 0.13 -1.80 -3.20 132.00 141.41 2cr7 h PRO 28 Ca 0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2cr7 h PRO 28 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 2cr7 h PRO 28 CO 0.81 0.25 -0.12 0.00 -0.23 0.00 0.00 178.00 178.71 2cr7 h ALA 29 N 1.75 -0.27 0.86 -0.56 0.00 -1.91 -1.79 119.26 117.33 2cr7 h ALA 29 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2cr7 h ALA 29 Cb 0.69 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2cr7 h ALA 29 CO 0.03 -0.67 -0.46 1.15 0.00 0.00 0.00 179.25 179.30 2cr7 h THR 30 N -0.29 0.06 -0.76 0.00 2.02 -1.93 -2.98 112.91 109.02 2cr7 h THR 30 Ca -0.01 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.30 2cr7 h THR 30 Cb 0.26 0.06 -0.14 0.00 -1.74 0.00 0.00 68.15 66.60 2cr7 h THR 30 CO -0.01 0.00 -0.34 0.22 0.37 0.00 0.00 175.52 175.76 2cr7 h TYR 31 N -1.22 -0.92 -0.66 3.16 3.20 -1.58 -0.78 116.97 118.17 2cr7 h TYR 31 Ca -0.12 0.08 0.08 0.00 3.14 0.00 0.00 58.73 61.92 2cr7 h TYR 31 Cb 0.96 0.51 -0.11 0.00 1.54 0.00 0.00 36.73 39.64 2cr7 h TYR 31 CO -0.05 -0.39 -0.51 -0.91 -1.64 0.00 0.00 178.16 174.66 2cr7 h ASN 32 N -0.09 -1.77 -1.05 -2.11 2.35 -1.22 0.28 115.58 111.97 2cr7 h ASN 32 Ca 0.29 0.27 0.38 0.00 -0.55 0.00 0.00 56.30 56.70 2cr7 h ASN 32 Cb 0.57 0.78 -0.16 0.00 0.05 0.00 0.00 38.32 39.56 2cr7 h ASN 32 CO -0.81 -0.33 0.60 1.23 -1.65 0.00 0.00 177.43 176.48 2cr7 h GLY 33 N -0.21 2.04 0.65 2.83 0.00 -0.99 -0.84 103.07 106.55 2cr7 h GLY 33 Ca 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 2cr7 h GLY 33 CO -0.75 -0.62 -0.31 -2.75 0.00 0.00 0.00 176.54 172.12 2cr7 h PHE 34 N 0.15 -0.80 -0.96 5.60 3.57 -0.37 -2.98 116.94 121.14 2cr7 h PHE 34 Ca 0.80 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.38 2cr7 h PHE 34 Cb 2.07 0.27 -0.12 0.00 2.79 0.00 0.00 35.95 40.95 2cr7 h PHE 34 CO -0.01 -0.50 -0.54 1.28 -2.23 0.00 0.00 178.31 176.31 2cr7 n LEU 35 N -4.75 -0.97 -0.30 0.59 4.77 -0.36 0.68 117.00 116.68 2cr7 n LEU 35 Ca -0.11 1.71 0.13 0.00 -0.03 0.00 0.00 56.01 57.72 2cr7 n LEU 35 Cb 0.34 -0.25 0.29 0.00 -2.33 0.00 0.00 43.42 41.48 2cr7 n LEU 35 CO 0.26 -1.41 0.94 -0.33 -1.33 0.00 0.00 177.39 175.51 2cr7 h GLU 36 N 0.00 0.19 0.82 3.23 5.08 -1.51 0.45 114.58 122.84 2cr7 h GLU 36 Ca 0.18 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2cr7 h GLU 36 Cb 0.42 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.64 2cr7 h GLU 36 CO -0.91 0.12 -0.39 0.82 -1.00 0.00 0.00 179.01 177.65 2cr7 h ILE 37 N 0.19 0.18 -0.98 3.13 2.04 0.42 -2.82 117.51 119.68 2cr7 h ILE 37 Ca 0.56 -0.02 0.18 0.00 1.00 0.00 0.00 64.86 66.58 2cr7 h ILE 37 Cb 1.13 0.19 -0.10 0.00 -0.74 0.00 0.00 36.82 37.30 2cr7 h ILE 37 CO -0.67 0.00 0.59 0.24 0.00 0.00 0.00 178.15 178.31 2cr7 h MET 38 N -1.12 0.73 -0.57 2.37 2.86 -0.21 0.25 114.93 119.24 2cr7 h MET 38 Ca -0.11 -0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.61 2cr7 h MET 38 Cb 0.85 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 2cr7 h MET 38 CO 0.19 0.48 0.39 0.87 1.06 0.00 0.00 176.91 179.90 2cr7 h LYS 39 N 0.75 0.20 -0.17 1.72 1.57 -0.72 -1.45 116.57 118.46 2cr7 h LYS 39 Ca 0.56 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.32 2cr7 h LYS 39 Cb 0.86 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2cr7 h LYS 39 CO -0.38 0.13 0.05 0.93 -0.57 0.00 0.00 179.45 179.62 2cr7 h GLU 40 N 0.20 0.26 0.00 3.15 5.08 -0.31 -2.54 114.58 120.43 2cr7 h GLU 40 Ca 0.27 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2cr7 h GLU 40 Cb 0.78 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2cr7 h GLU 40 CO -0.05 0.38 -0.11 0.35 -1.00 0.00 0.00 179.01 178.58 2cr7 h PHE 41 N 0.10 0.00 0.00 4.33 3.04 -1.26 -0.57 116.94 122.57 2cr7 h PHE 41 Ca 0.05 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2cr7 h PHE 41 Cb 0.23 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.74 2cr7 h PHE 41 CO 0.00 0.11 0.00 1.63 -2.02 0.00 0.00 178.31 178.03 2cr7 n LYS 42 N -3.84 0.12 -0.29 1.11 4.76 -0.91 -2.72 118.16 116.39 2cr7 n LYS 42 Ca -0.02 0.19 0.07 0.00 -2.87 0.00 0.00 58.31 55.68 2cr7 n LYS 42 Cb 0.21 -1.66 0.20 0.00 -1.84 0.00 0.00 35.03 31.94 2cr7 n LYS 42 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2cr7 n SER 43 N -1.87 3.32 -3.00 4.39 2.88 -0.29 -4.96 113.62 114.09 2cr7 n SER 43 Ca 0.05 -2.49 -0.22 0.00 -1.33 0.00 0.00 58.87 54.88 2cr7 n SER 43 Cb 0.32 -0.37 0.02 0.00 -0.75 0.00 0.00 64.21 63.43 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 -0.03 -4.32 -0.04 -1.46 6.02 -1.10 -4.88 117.38 111.57 2cr7 n GLN 44 Ca 0.16 0.84 -0.17 0.00 -0.01 0.00 0.00 57.00 57.82 2cr7 n GLN 44 Cb 0.64 -5.66 -0.14 0.00 1.02 0.00 0.00 30.24 26.10 2cr7 n GLN 44 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2cr7 n SER 45 N -2.43 1.66 -4.56 1.08 7.64 -0.78 -4.97 113.62 111.26 2cr7 n SER 45 Ca -0.11 0.17 -0.25 0.00 1.01 0.00 0.00 58.87 59.69 2cr7 n SER 45 Cb 0.61 -0.45 -0.10 0.00 -1.01 0.00 0.00 64.21 63.27 2cr7 n SER 45 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2cr7 s ILE 46 N -2.55 2.47 0.51 0.44 -4.36 -1.25 -5.00 121.20 111.47 2cr7 s ILE 46 Ca -0.20 -2.15 0.08 0.00 -0.26 0.00 0.00 60.65 58.11 2cr7 s ILE 46 Cb 0.07 -2.64 0.04 0.00 1.25 0.00 0.00 42.46 41.17 2cr7 s ILE 46 CO 0.75 -0.25 0.54 -1.81 0.24 0.00 0.00 174.94 174.41 2cr7 s ASP 47 N -3.63 4.98 0.14 4.36 1.01 -1.26 -4.69 116.67 117.58 2cr7 s ASP 47 Ca 0.33 -0.92 -0.31 0.00 0.71 0.00 0.00 52.55 52.36 2cr7 s ASP 47 Cb -0.00 0.03 -0.06 0.00 1.01 0.00 0.00 42.92 43.90 2cr7 s ASP 47 CO 0.17 -1.04 1.56 0.74 0.21 0.00 0.00 175.17 176.82 2cr7 h THR 48 N 0.63 0.04 0.00 -1.27 2.02 -2.01 0.50 112.91 112.82 2cr7 h THR 48 Ca -0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2cr7 h THR 48 Cb 1.29 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2cr7 h THR 48 CO 0.51 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.59 2cr7 n PRO 49 N -5.39 0.29 0.05 6.66 -0.04 -1.26 -2.71 135.00 132.60 2cr7 n PRO 49 Ca -0.02 0.10 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 2cr7 n PRO 49 Cb 0.35 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 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 2.44 0.21 2.00 0.55 0.00 -0.37 -3.22 103.07 104.69 2cr7 h GLY 50 Ca 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 2cr7 h GLY 50 CO 0.00 0.48 -0.18 -0.24 0.00 0.00 0.00 176.54 176.59 2cr7 h VAL 51 N 0.05 0.37 0.00 4.60 3.04 -1.24 -3.25 116.25 119.82 2cr7 h VAL 51 Ca -0.22 -1.21 -0.10 0.00 -1.01 0.00 0.00 66.70 64.16 2cr7 h VAL 51 Cb 1.98 1.92 0.01 0.00 -2.01 0.00 0.00 31.29 33.19 2cr7 h VAL 51 CO 0.15 0.18 -0.40 0.40 -1.01 0.00 0.00 177.57 176.89 2cr7 h ILE 52 N 0.00 1.50 0.00 3.17 2.04 -1.66 -1.96 117.51 120.61 2cr7 h ILE 52 Ca -0.00 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.83 2cr7 h ILE 52 Cb 0.91 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.72 2cr7 h ILE 52 CO 0.02 0.57 0.07 -0.09 0.00 0.00 0.00 178.15 178.72 2cr7 h ARG 53 N -0.36 0.00 0.00 2.37 2.43 -1.59 0.20 114.38 117.44 2cr7 h ARG 53 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2cr7 h ARG 53 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2cr7 h ARG 53 CO 0.08 0.00 -0.36 0.54 -1.51 0.00 0.00 179.97 178.71 2cr7 n ARG 54 N -2.95 0.29 -0.28 0.20 5.12 -1.20 -4.04 116.66 113.80 2cr7 n ARG 54 Ca -0.03 0.37 0.20 0.00 -1.93 0.00 0.00 57.85 56.47 2cr7 n ARG 54 Cb 0.13 -1.28 0.51 0.00 -1.16 0.00 0.00 32.46 30.65 2cr7 n ARG 54 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 2cr7 h VAL 55 N -0.61 0.62 -0.88 1.55 3.04 -1.27 0.11 116.25 118.80 2cr7 h VAL 55 Ca 0.00 -0.14 0.04 0.00 -1.01 0.00 0.00 66.70 65.59 2cr7 h VAL 55 Cb 0.36 0.18 -0.05 0.00 -2.01 0.00 0.00 31.29 29.77 2cr7 h VAL 55 CO 0.00 0.07 0.57 0.77 -1.01 0.00 0.00 177.57 177.97 2cr7 h SER 56 N 0.41 0.93 -0.13 3.17 4.64 -1.15 -2.04 113.55 119.37 2cr7 h SER 56 Ca 0.52 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.68 2cr7 h SER 56 Cb 1.30 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2cr7 h SER 56 CO -0.22 0.63 -0.46 1.56 -0.87 0.00 0.00 176.83 177.47 2cr7 h GLN 57 N 1.08 0.69 -0.71 4.77 1.08 -0.94 -1.64 115.11 119.44 2cr7 h GLN 57 Ca 0.36 -0.39 0.06 0.00 -1.45 0.00 0.00 58.65 57.23 2cr7 h GLN 57 Cb 0.05 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 2cr7 h GLN 57 CO -0.13 1.00 0.41 1.25 -0.95 0.00 0.00 178.83 180.41 2cr7 h LEU 58 N 0.55 0.62 -3.73 1.46 5.85 -0.86 -2.33 115.31 116.86 2cr7 h LEU 58 Ca 0.03 0.03 -0.48 0.00 0.84 0.00 0.00 57.88 58.30 2cr7 h LEU 58 Cb 1.01 -0.10 -0.28 0.00 0.37 0.00 0.00 40.66 41.66 2cr7 h LEU 58 CO 0.10 0.40 0.05 0.49 -0.34 0.00 0.00 178.44 179.13 2cr7 n PHE 59 N -4.75 2.45 -0.33 1.25 3.72 -0.92 -4.74 117.46 114.14 2cr7 n PHE 59 Ca 0.09 -2.27 0.12 0.00 -0.05 0.00 0.00 57.45 55.34 2cr7 n PHE 59 Cb 0.17 -0.79 0.30 0.00 -0.94 0.00 0.00 39.48 38.22 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 1.68 0.95 0.00 1.38 2.07 -0.71 0.43 115.15 120.95 2cr7 h HIS 60 Ca 0.43 0.04 -0.05 0.00 -2.85 0.00 0.00 60.37 57.93 2cr7 h HIS 60 Cb 1.46 -0.28 -0.01 0.00 2.57 0.00 0.00 27.41 31.16 2cr7 h HIS 60 CO 1.16 0.19 -0.25 0.93 -3.07 0.00 0.00 177.93 176.89 2cr7 h GLU 61 N 0.69 0.00 -3.40 5.12 5.08 -1.85 -3.36 114.58 116.86 2cr7 h GLU 61 Ca 0.55 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 58.20 2cr7 h GLU 61 Cb 0.86 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 29.76 2cr7 h GLU 61 CO -0.39 0.25 -0.18 -1.01 -1.00 0.00 0.00 179.01 176.67 2cr7 s HIS 62 N -3.60 3.74 -0.19 4.33 3.76 0.15 -4.89 115.29 118.59 2cr7 s HIS 62 Ca 0.01 -2.91 0.29 0.00 -0.15 0.00 0.00 55.06 52.30 2cr7 s HIS 62 Cb 0.10 -3.24 1.19 0.00 1.11 0.00 0.00 32.58 31.74 2cr7 s HIS 62 CO 0.65 -0.77 1.85 -1.00 -0.85 0.00 0.00 174.74 174.61 2cr7 h PRO 63 N 6.36 0.00 -0.31 8.40 0.13 -1.72 -2.94 132.00 141.92 2cr7 h PRO 63 Ca 0.11 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.08 2cr7 h PRO 63 Cb 0.86 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2cr7 h PRO 63 CO 0.80 0.00 -0.44 -0.44 -0.23 0.00 0.00 178.00 177.69 2cr7 h ASP 64 N 0.00 0.87 -0.03 1.44 3.32 -1.90 -2.87 116.42 117.26 2cr7 h ASP 64 Ca 0.00 -0.42 -0.06 0.00 0.02 0.00 0.00 57.03 56.57 2cr7 h ASP 64 Cb 0.42 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2cr7 h ASP 64 CO 0.00 1.18 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.42 2cr7 h LEU 65 N 0.65 0.24 -0.60 1.55 3.38 -1.87 -2.38 115.31 116.29 2cr7 h LEU 65 Ca 0.04 -0.69 0.12 0.00 0.09 0.00 0.00 57.88 57.44 2cr7 h LEU 65 Cb 1.01 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 2cr7 h LEU 65 CO 0.10 0.89 0.00 0.40 0.09 0.00 0.00 178.44 179.92 2cr7 h ILE 66 N -0.39 0.51 -0.17 1.22 2.04 -1.59 -1.68 117.51 117.45 2cr7 h ILE 66 Ca -0.02 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2cr7 h ILE 66 Cb 0.90 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2cr7 h ILE 66 CO 0.04 0.02 -0.02 0.58 0.00 0.00 0.00 178.15 178.78 2cr7 h VAL 67 N 0.12 1.27 0.00 1.67 2.07 -1.58 -2.72 116.25 117.09 2cr7 h VAL 67 Ca 0.31 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2cr7 h VAL 67 Cb 0.49 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2cr7 h VAL 67 CO -0.51 0.28 0.31 1.23 0.02 0.00 0.00 177.57 178.90 2cr7 h GLY 68 N 0.04 0.00 0.00 2.17 0.00 -0.77 0.77 103.07 105.29 2cr7 h GLY 68 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2cr7 h GLY 68 CO 0.01 0.00 -0.05 -2.75 0.00 0.00 0.00 176.54 173.75 2cr7 h PHE 69 N 0.00 0.00 -0.55 5.60 3.57 -1.08 -2.50 116.94 121.98 2cr7 h PHE 69 Ca 0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 2cr7 h PHE 69 Cb 0.63 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2cr7 h PHE 69 CO 0.00 0.33 0.02 -2.95 -2.23 0.00 0.00 178.31 173.48 2cr7 h ASN 70 N -1.00 0.94 -0.48 0.41 7.08 -1.34 0.00 115.58 121.19 2cr7 h ASN 70 Ca -0.01 -0.29 -0.06 0.00 -3.08 0.00 0.00 56.30 52.86 2cr7 h ASN 70 Cb 0.35 -0.25 -0.02 0.00 -2.08 0.00 0.00 38.32 36.32 2cr7 h ASN 70 CO -0.00 1.00 0.07 0.00 -2.08 0.00 0.00 177.43 176.41 2cr7 h ALA 71 N 0.97 0.63 -0.03 4.14 0.00 -1.05 -3.19 119.26 120.73 2cr7 h ALA 71 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2cr7 h ALA 71 Cb 0.50 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2cr7 h ALA 71 CO 0.02 0.37 -0.01 0.35 0.00 0.00 0.00 179.25 179.98 2cr7 h PHE 72 N 0.66 0.08 -0.72 0.00 3.57 -1.33 -3.46 116.94 115.74 2cr7 h PHE 72 Ca 0.14 -0.02 -0.55 0.00 3.53 0.00 0.00 57.97 61.08 2cr7 h PHE 72 Cb 0.40 -0.02 0.05 0.00 2.79 0.00 0.00 35.95 39.17 2cr7 h PHE 72 CO 0.03 0.44 -0.08 -0.11 -2.23 0.00 0.00 178.31 176.36 2cr7 n LEU 73 N -4.85 -0.26 -4.73 0.59 7.94 -0.02 -4.81 117.00 110.86 2cr7 n LEU 73 Ca -0.08 0.83 -0.42 0.00 -1.11 0.00 0.00 56.01 55.24 2cr7 n LEU 73 Cb 0.22 -0.67 -0.03 0.00 0.53 0.00 0.00 43.42 43.47 2cr7 n LEU 73 CO 0.34 -1.60 1.00 -2.16 -1.11 0.00 0.00 177.39 173.86 2cr7 s PRO 74 N -0.21 4.37 0.28 1.96 0.04 -1.26 -5.00 135.00 135.19 2cr7 s PRO 74 Ca 0.60 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.62 2cr7 s PRO 74 Cb -0.85 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 30.41 2cr7 s PRO 74 CO 0.41 -0.31 0.56 -1.12 0.04 0.00 0.00 177.00 176.58 2cr7 s SER 75 N 0.65 6.48 -0.18 6.66 0.01 -1.26 -5.09 113.70 120.96 2cr7 s SER 75 Ca 0.59 0.77 -0.35 0.00 1.31 0.00 0.00 55.95 58.27 2cr7 s SER 75 Cb -0.36 -2.17 0.15 0.00 0.21 0.00 0.00 66.02 63.85 2cr7 s SER 75 CO 0.35 -0.18 1.38 -0.83 0.41 0.00 0.00 173.24 174.36 2cr7 s GLY 76 N -3.02 -0.34 -0.08 3.44 0.00 -1.26 -5.13 107.32 100.93 2cr7 s GLY 76 Ca 0.45 1.43 -0.30 0.00 0.00 0.00 0.00 44.72 46.30 2cr7 s GLY 76 CO 0.28 0.41 1.52 2.56 0.00 0.00 0.00 173.10 177.88 2cr7 s PRO 77 N -2.11 4.20 -0.12 2.90 0.04 -1.26 -4.93 135.00 133.72 2cr7 s PRO 77 Ca 0.13 2.01 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 2cr7 s PRO 77 Cb 0.03 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 2cr7 s PRO 77 CO -0.04 -0.78 0.02 0.77 0.04 0.00 0.00 177.00 177.00 2cr7 h SER 78 N 9.00 0.00 -1.38 6.66 0.02 -2.04 -3.42 113.55 122.39 2cr7 h SER 78 Ca -0.35 -0.11 -0.42 0.00 -0.84 0.00 0.00 61.79 60.07 2cr7 h SER 78 Cb 1.15 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 2cr7 h SER 78 CO 0.96 0.66 1.07 -0.55 -1.14 0.00 0.00 176.83 177.83 2cr7 s SER 79 N -5.72 5.39 0.00 3.07 0.15 -1.26 -5.36 113.70 109.97 2cr7 s SER 79 Ca -0.07 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2cr7 s SER 79 Cb 0.01 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2cr7 s SER 79 CO 0.15 -2.42 0.00 0.61 1.20 0.00 0.00 173.24 172.78