#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 7.14 0.02 1.61 0.15 -1.26 -4.99 113.70 116.37 2cr7 s SER 2 Ca 0.00 -3.51 -0.07 0.00 0.70 0.00 0.00 55.95 53.08 2cr7 s SER 2 Cb 0.00 -2.18 -0.00 0.00 -1.71 0.00 0.00 66.02 62.12 2cr7 s SER 2 CO 0.00 -0.31 0.13 -0.44 1.20 0.00 0.00 173.24 173.82 2cr7 s SER 3 N 1.28 0.09 0.00 5.45 0.01 -1.26 -5.09 113.70 114.18 2cr7 s SER 3 Ca 0.29 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.18 2cr7 s SER 3 Cb -0.10 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2cr7 s SER 3 CO -0.08 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.72 2cr7 n GLY 4 N 1.04 -0.88 3.81 3.44 0.00 -1.26 -5.04 105.19 106.29 2cr7 n GLY 4 Ca -0.21 0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 2cr7 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cr7 n SER 5 N -1.41 -3.58 -0.07 1.61 2.88 -1.26 -4.91 113.62 106.87 2cr7 n SER 5 Ca 0.00 -0.77 -0.10 0.00 -1.33 0.00 0.00 58.87 56.66 2cr7 n SER 5 Cb 0.00 -4.06 -0.07 0.00 -0.75 0.00 0.00 64.21 59.33 2cr7 n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2cr7 h SER 6 N -2.06 0.00 0.00 -3.46 0.87 -2.07 -3.51 113.55 103.32 2cr7 h SER 6 Ca -0.59 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 59.53 2cr7 h SER 6 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2cr7 h SER 6 CO 0.62 0.93 0.00 0.61 -0.53 0.00 0.00 176.83 178.46 2cr7 n GLY 7 N 1.62 -1.19 3.09 5.77 0.00 -1.26 -5.12 105.19 108.10 2cr7 n GLY 7 Ca -0.12 0.70 -0.32 0.00 0.00 0.00 0.00 46.02 46.28 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 1.37 2.03 -2.00 1.61 1.01 -1.26 -4.96 120.40 118.20 2cr7 s VAL 8 Ca 0.00 -1.13 0.18 0.00 0.00 0.00 0.00 61.98 61.03 2cr7 s VAL 8 Cb 0.00 -1.95 0.30 0.00 0.00 0.00 0.00 36.38 34.73 2cr7 s VAL 8 CO 0.00 0.34 1.23 0.00 0.00 0.00 0.00 175.10 176.67 2cr7 n HIS 9 N 4.58 0.32 -4.32 5.22 1.44 -1.26 -4.97 115.22 116.23 2cr7 n HIS 9 Ca -0.18 -0.21 -0.24 0.00 -2.01 0.00 0.00 57.72 55.08 2cr7 n HIS 9 Cb 0.47 -0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.50 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 -1.32 3.24 -0.24 0.61 -7.23 -1.26 -5.13 120.40 109.08 2cr7 s VAL 10 Ca 0.29 -1.91 -0.03 0.00 -1.81 0.00 0.00 61.98 58.52 2cr7 s VAL 10 Cb 0.17 -2.69 0.13 0.00 0.56 0.00 0.00 36.38 34.55 2cr7 s VAL 10 CO 0.24 -0.30 0.37 -1.61 -0.31 0.00 0.00 175.10 173.49 2cr7 s GLU 11 N -3.42 0.34 0.03 4.82 2.02 -1.26 -5.03 118.70 116.20 2cr7 s GLU 11 Ca 0.29 0.52 -0.27 0.00 0.02 0.00 0.00 54.97 55.54 2cr7 s GLU 11 Cb -0.07 -0.52 0.09 0.00 0.10 0.00 0.00 34.13 33.74 2cr7 s GLU 11 CO 0.18 -0.64 1.23 -0.51 0.02 0.00 0.00 175.26 175.54 2cr7 s ASP 12 N 2.53 0.01 -0.12 -0.19 1.01 -1.26 -5.04 116.67 113.60 2cr7 s ASP 12 Ca 0.12 -0.32 -0.07 0.00 0.71 0.00 0.00 52.55 53.00 2cr7 s ASP 12 Cb -0.15 0.23 -0.04 0.00 1.01 0.00 0.00 42.92 43.96 2cr7 s ASP 12 CO -0.15 -0.46 0.02 0.00 0.21 0.00 0.00 175.17 174.79 2cr7 h ALA 13 N 2.00 0.01 -0.29 5.23 0.00 -1.98 -3.36 119.26 120.87 2cr7 h ALA 13 Ca -0.23 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 2cr7 h ALA 13 Cb 1.19 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 2cr7 h ALA 13 CO 0.33 0.20 0.24 1.47 0.00 0.00 0.00 179.25 181.49 2cr7 n LEU 14 N -4.69 5.62 0.07 0.00 -0.00 -1.26 -4.42 117.00 112.32 2cr7 n LEU 14 Ca -0.05 -2.78 -0.04 0.00 -0.00 0.00 0.00 56.01 53.15 2cr7 n LEU 14 Cb 0.16 -0.98 -0.02 0.00 -0.00 0.00 0.00 43.42 42.59 2cr7 n LEU 14 CO 0.07 1.04 0.14 0.74 -0.00 0.00 0.00 177.39 179.38 2cr7 h THR 15 N 0.85 0.00 0.05 1.47 2.02 -1.97 -3.32 112.91 112.00 2cr7 h THR 15 Ca 0.18 -0.48 -0.23 0.00 0.77 0.00 0.00 66.41 66.65 2cr7 h THR 15 Cb 1.08 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2cr7 h THR 15 CO 0.44 0.00 -1.03 0.22 0.37 0.00 0.00 175.52 175.51 2cr7 h TYR 16 N -0.72 0.41 -0.84 3.16 5.03 -1.88 -3.33 116.97 118.80 2cr7 h TYR 16 Ca -0.02 -0.26 0.13 0.00 2.58 0.00 0.00 58.73 61.16 2cr7 h TYR 16 Cb 0.18 -0.03 -0.14 0.00 1.55 0.00 0.00 36.73 38.28 2cr7 h TYR 16 CO 0.02 1.13 -0.39 1.25 -1.32 0.00 0.00 178.16 178.85 2cr7 h LEU 17 N 0.12 -1.41 -0.70 2.82 7.12 -1.80 0.17 115.31 121.62 2cr7 h LEU 17 Ca -0.08 0.28 0.14 0.00 0.13 0.00 0.00 57.88 58.35 2cr7 h LEU 17 Cb 1.71 0.71 -0.13 0.00 -0.53 0.00 0.00 40.66 42.42 2cr7 h LEU 17 CO 0.17 -0.29 -0.22 -0.78 -0.13 0.00 0.00 178.44 177.18 2cr7 h ASP 18 N -0.07 -0.80 -0.40 1.25 3.58 -1.67 -1.81 116.42 116.51 2cr7 h ASP 18 Ca 0.29 0.22 0.04 0.00 0.42 0.00 0.00 57.03 58.00 2cr7 h ASP 18 Cb 0.57 0.48 -0.06 0.00 1.72 0.00 0.00 39.33 42.04 2cr7 h ASP 18 CO -0.87 -0.26 -0.38 1.56 -2.88 0.00 0.00 179.24 176.41 2cr7 h GLN 19 N -0.04 -0.18 -0.52 0.28 1.08 -0.84 -0.50 115.11 114.40 2cr7 h GLN 19 Ca 0.32 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.62 2cr7 h GLN 19 Cb 0.54 0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 27.91 2cr7 h GLN 19 CO -0.74 -0.12 -0.44 0.28 -0.95 0.00 0.00 178.83 176.86 2cr7 h VAL 20 N -0.19 0.09 -0.57 -0.54 2.07 -1.24 0.14 116.25 116.02 2cr7 h VAL 20 Ca 0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.69 2cr7 h VAL 20 Cb 0.36 0.09 -0.11 0.00 -1.52 0.00 0.00 31.29 30.11 2cr7 h VAL 20 CO -0.47 0.00 -0.29 0.50 0.02 0.00 0.00 177.57 177.33 2cr7 h LYS 21 N -0.26 -0.14 -0.07 1.57 3.11 -0.92 -0.88 116.57 118.98 2cr7 h LYS 21 Ca 0.16 0.01 0.01 0.00 -2.81 0.00 0.00 60.65 58.02 2cr7 h LYS 21 Cb 0.57 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 2cr7 h LYS 21 CO -0.65 -0.09 -0.02 0.82 -2.81 0.00 0.00 179.45 176.70 2cr7 h ILE 22 N -0.14 0.93 -0.54 2.00 2.04 0.26 -1.63 117.51 120.42 2cr7 h ILE 22 Ca 0.24 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.20 2cr7 h ILE 22 Cb 0.53 0.93 -0.11 0.00 -0.74 0.00 0.00 36.82 37.43 2cr7 h ILE 22 CO -0.65 0.00 -0.27 -0.09 0.00 0.00 0.00 178.15 177.14 2cr7 h ARG 23 N -0.00 -0.13 -1.11 2.37 9.65 0.52 0.69 114.38 126.36 2cr7 h ARG 23 Ca 0.03 0.01 -0.59 0.00 -1.10 0.00 0.00 59.98 58.33 2cr7 h ARG 23 Cb 0.05 0.03 -0.26 0.00 -1.39 0.00 0.00 29.97 28.41 2cr7 h ARG 23 CO -0.07 -0.09 0.77 1.19 2.80 0.00 0.00 179.97 184.57 2cr7 n PHE 24 N -5.43 2.85 -0.05 2.20 3.72 -0.53 -4.67 117.46 115.55 2cr7 n PHE 24 Ca 0.04 -2.75 -0.08 0.00 -0.05 0.00 0.00 57.45 54.62 2cr7 n PHE 24 Cb 0.34 -1.32 -0.02 0.00 -0.94 0.00 0.00 39.48 37.53 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 2.09 0.18 -1.39 1.37 0.00 0.14 -1.71 103.07 103.75 2cr7 h GLY 25 Ca 0.54 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.93 2cr7 h GLY 25 CO 1.39 -0.07 0.00 -1.14 0.00 0.00 0.00 176.54 176.71 2cr7 n SER 26 N -5.19 2.28 -3.85 0.19 3.41 -1.26 -4.56 113.62 104.64 2cr7 n SER 26 Ca -0.02 -1.85 -0.28 0.00 -0.26 0.00 0.00 58.87 56.46 2cr7 n SER 26 Cb 0.13 -0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 63.77 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 -1.40 4.39 0.43 4.04 1.01 -0.64 -4.92 116.67 119.58 2cr7 s ASP 27 Ca 0.33 -3.63 0.22 0.00 0.71 0.00 0.00 52.55 50.18 2cr7 s ASP 27 Cb 0.18 -1.50 0.94 0.00 1.01 0.00 0.00 42.92 43.55 2cr7 s ASP 27 CO 0.26 -0.12 1.85 1.55 0.21 0.00 0.00 175.17 178.92 2cr7 h PRO 28 N 5.61 0.00 -0.11 8.23 0.13 -1.80 -3.23 132.00 140.83 2cr7 h PRO 28 Ca 0.12 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.30 2cr7 h PRO 28 Cb 0.79 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.87 2cr7 h PRO 28 CO 0.67 0.27 -0.27 0.00 -0.23 0.00 0.00 178.00 178.44 2cr7 h ALA 29 N 1.73 -0.28 0.66 -0.56 0.00 -1.91 -0.28 119.26 118.62 2cr7 h ALA 29 Ca -0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2cr7 h ALA 29 Cb 0.70 0.51 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2cr7 h ALA 29 CO 0.03 -0.74 -0.32 1.15 0.00 0.00 0.00 179.25 179.38 2cr7 h THR 30 N -0.35 0.17 -0.96 0.00 2.02 -1.94 -2.98 112.91 108.87 2cr7 h THR 30 Ca 0.09 -0.28 0.31 0.00 0.77 0.00 0.00 66.41 67.30 2cr7 h THR 30 Cb 0.49 0.23 -0.16 0.00 -1.74 0.00 0.00 68.15 66.96 2cr7 h THR 30 CO -0.31 0.02 0.32 0.22 0.37 0.00 0.00 175.52 176.15 2cr7 h TYR 31 N -1.13 0.48 0.55 3.16 3.20 -1.55 -0.50 116.97 121.18 2cr7 h TYR 31 Ca -0.09 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 2cr7 h TYR 31 Cb 0.72 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 2cr7 h TYR 31 CO 0.00 -0.34 -0.40 -0.91 -1.64 0.00 0.00 178.16 174.87 2cr7 h ASN 32 N 0.12 -1.05 -0.97 -2.11 2.35 -0.96 -2.36 115.58 110.60 2cr7 h ASN 32 Ca 0.68 0.07 0.25 0.00 -0.55 0.00 0.00 56.30 56.75 2cr7 h ASN 32 Cb 1.55 0.32 -0.18 0.00 0.05 0.00 0.00 38.32 40.06 2cr7 h ASN 32 CO -0.75 -0.58 -0.05 0.61 -1.65 0.00 0.00 177.43 175.01 2cr7 n GLY 33 N -1.48 -1.41 0.34 2.83 0.00 -0.22 -0.44 105.19 104.80 2cr7 n GLY 33 Ca -0.11 0.98 -0.16 0.00 0.00 0.00 0.00 46.02 46.72 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 -0.78 -1.04 1.61 3.57 -1.24 -2.36 116.94 116.70 2cr7 h PHE 34 Ca 0.56 -0.01 0.35 0.00 3.53 0.00 0.00 57.97 62.40 2cr7 h PHE 34 Cb 1.08 0.28 -0.15 0.00 2.79 0.00 0.00 35.95 39.95 2cr7 h PHE 34 CO -0.56 -0.46 0.60 -0.07 -2.23 0.00 0.00 178.31 175.59 2cr7 h LEU 35 N -0.75 0.44 -0.94 0.59 3.38 -0.22 1.39 115.31 119.21 2cr7 h LEU 35 Ca -0.06 0.19 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2cr7 h LEU 35 Cb 0.61 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2cr7 h LEU 35 CO 0.06 -0.19 -0.41 -0.33 0.09 0.00 0.00 178.44 177.66 2cr7 h GLU 36 N 0.24 0.25 0.00 1.13 4.39 -0.92 -2.71 114.58 116.95 2cr7 h GLU 36 Ca 0.76 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 60.32 2cr7 h GLU 36 Cb 1.89 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.53 2cr7 h GLU 36 CO -0.60 0.62 -0.13 0.82 -1.16 0.00 0.00 179.01 178.56 2cr7 h ILE 37 N 0.21 0.84 0.13 3.13 2.04 0.23 -2.98 117.51 121.11 2cr7 h ILE 37 Ca 0.02 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 2cr7 h ILE 37 Cb 0.82 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2cr7 h ILE 37 CO 0.06 0.12 -0.06 0.24 0.00 0.00 0.00 178.15 178.51 2cr7 h MET 38 N 0.00 -0.17 -0.91 2.37 2.86 -1.14 -3.29 114.93 114.64 2cr7 h MET 38 Ca -0.00 0.01 0.17 0.00 -2.06 0.00 0.00 59.70 57.82 2cr7 h MET 38 Cb 0.27 0.04 -0.17 0.00 0.06 0.00 0.00 31.60 31.80 2cr7 h MET 38 CO 0.02 0.29 -0.26 1.63 1.06 0.00 0.00 176.91 179.64 2cr7 n LYS 39 N -4.91 -0.12 -0.27 1.72 5.02 -1.13 0.34 118.16 118.82 2cr7 n LYS 39 Ca -0.08 1.42 -0.01 0.00 -2.02 0.00 0.00 58.31 57.61 2cr7 n LYS 39 Cb 0.27 -2.11 0.05 0.00 -0.02 0.00 0.00 35.03 33.22 2cr7 n LYS 39 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2cr7 h GLU 40 N 0.00 -0.06 0.00 1.97 4.39 -1.63 0.77 114.58 120.02 2cr7 h GLU 40 Ca 0.41 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 60.04 2cr7 h GLU 40 Cb 0.63 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2cr7 h GLU 40 CO -0.93 -0.04 -0.36 0.35 -1.16 0.00 0.00 179.01 176.87 2cr7 h PHE 41 N -0.07 0.00 0.00 4.33 3.04 -0.24 -0.95 116.94 123.05 2cr7 h PHE 41 Ca 0.32 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.27 2cr7 h PHE 41 Cb 0.58 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.09 2cr7 h PHE 41 CO -0.69 0.36 0.00 1.17 -2.02 0.00 0.00 178.31 177.13 2cr7 n LYS 42 N -3.98 0.02 -0.37 1.11 4.81 0.23 -2.84 118.16 117.14 2cr7 n LYS 42 Ca -0.02 0.05 0.08 0.00 -0.87 0.00 0.00 58.31 57.55 2cr7 n LYS 42 Cb 0.41 -1.50 0.23 0.00 0.02 0.00 0.00 35.03 34.19 2cr7 n LYS 42 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2cr7 n SER 43 N -1.49 3.65 -2.23 3.14 2.88 0.87 -4.94 113.62 115.50 2cr7 n SER 43 Ca 0.07 -2.61 -0.19 0.00 -1.33 0.00 0.00 58.87 54.80 2cr7 n SER 43 Cb 0.30 -0.44 -0.03 0.00 -0.75 0.00 0.00 64.21 63.30 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 -0.01 -1.70 -0.02 -1.46 6.02 -1.13 -4.86 117.38 114.22 2cr7 n GLN 44 Ca 0.18 0.99 -0.22 0.00 -0.01 0.00 0.00 57.00 57.94 2cr7 n GLN 44 Cb 0.73 -5.58 -0.13 0.00 1.02 0.00 0.00 30.24 26.28 2cr7 n GLN 44 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2cr7 h SER 45 N 0.00 0.31 -0.37 1.08 0.87 -1.44 -3.49 113.55 110.51 2cr7 h SER 45 Ca -0.45 -0.82 -0.63 0.00 -1.23 0.00 0.00 61.79 58.66 2cr7 h SER 45 Cb 1.33 -0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 63.10 2cr7 h SER 45 CO 0.55 1.72 -0.39 0.27 -0.53 0.00 0.00 176.83 178.46 2cr7 s ILE 46 N -2.49 1.36 0.47 2.23 -4.36 -1.20 -4.99 121.20 112.22 2cr7 s ILE 46 Ca -0.23 -1.72 0.02 0.00 -0.26 0.00 0.00 60.65 58.46 2cr7 s ILE 46 Cb 0.06 -2.07 -0.01 0.00 1.25 0.00 0.00 42.46 41.68 2cr7 s ILE 46 CO 0.72 0.00 0.08 -1.81 0.24 0.00 0.00 174.94 174.18 2cr7 s ASP 47 N -4.12 3.45 0.14 4.36 1.11 -1.26 -4.69 116.67 115.66 2cr7 s ASP 47 Ca 0.20 -1.71 -0.30 0.00 0.18 0.00 0.00 52.55 50.91 2cr7 s ASP 47 Cb -0.01 0.62 -0.05 0.00 1.07 0.00 0.00 42.92 44.55 2cr7 s ASP 47 CO 0.12 -0.95 1.56 0.74 1.18 0.00 0.00 175.17 177.82 2cr7 h THR 48 N 1.54 0.04 0.00 -1.27 2.02 -2.01 0.58 112.91 113.81 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 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 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 -5.39 0.37 -0.01 6.66 -0.04 -1.26 -2.96 135.00 132.37 2cr7 n PRO 49 Ca -0.02 0.06 -0.22 0.00 -0.04 0.00 0.00 63.50 63.29 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 0.26 2.00 0.55 0.00 -0.23 -3.33 103.07 104.76 2cr7 h GLY 50 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.68 2cr7 h GLY 50 CO 0.00 0.57 0.00 1.55 0.00 0.00 0.00 176.54 178.66 2cr7 n VAL 51 N -3.83 0.80 0.00 4.60 3.14 -0.82 -2.96 118.33 119.27 2cr7 n VAL 51 Ca -0.29 0.18 -0.17 0.00 -2.96 0.00 0.00 64.34 61.10 2cr7 n VAL 51 Cb 0.93 -1.10 -0.12 0.00 -1.06 0.00 0.00 33.84 32.49 2cr7 n VAL 51 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2cr7 h ILE 52 N 0.00 1.46 0.00 1.55 2.04 -1.69 -2.46 117.51 118.41 2cr7 h ILE 52 Ca 0.00 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.74 2cr7 h ILE 52 Cb 0.40 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 2cr7 h ILE 52 CO 0.00 0.61 0.00 -0.09 0.00 0.00 0.00 178.15 178.67 2cr7 h ARG 53 N -0.20 0.00 0.00 2.37 2.43 -1.64 -2.22 114.38 115.11 2cr7 h ARG 53 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2cr7 h ARG 53 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2cr7 h ARG 53 CO 0.11 0.00 -0.26 0.00 -1.51 0.00 0.00 179.97 178.31 2cr7 h ARG 54 N 0.00 0.00 -0.13 0.20 2.47 -1.62 -3.30 114.38 112.00 2cr7 h ARG 54 Ca 0.00 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.76 2cr7 h ARG 54 Cb 0.01 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2cr7 h ARG 54 CO 0.00 0.00 0.68 -0.24 0.56 0.00 0.00 179.97 180.97 2cr7 h VAL 55 N -0.52 0.03 0.18 2.04 3.04 -1.38 -0.76 116.25 118.89 2cr7 h VAL 55 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 2cr7 h VAL 55 Cb 0.26 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 2cr7 h VAL 55 CO 0.00 0.00 -0.09 0.77 -1.01 0.00 0.00 177.57 177.24 2cr7 h SER 56 N 0.00 -0.21 -0.70 3.17 4.64 -1.56 -3.17 113.55 115.72 2cr7 h SER 56 Ca 0.06 0.01 0.14 0.00 -0.47 0.00 0.00 61.79 61.53 2cr7 h SER 56 Cb 1.41 0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 63.46 2cr7 h SER 56 CO -0.00 0.19 0.20 0.06 -0.87 0.00 0.00 176.83 176.41 2cr7 h GLN 57 N -0.92 0.31 -0.21 4.77 3.07 -1.24 0.32 115.11 121.21 2cr7 h GLN 57 Ca -0.02 -0.02 0.05 0.00 0.09 0.00 0.00 58.65 58.75 2cr7 h GLN 57 Cb 0.19 -0.07 -0.07 0.00 0.08 0.00 0.00 27.48 27.60 2cr7 h GLN 57 CO 0.04 0.21 -0.42 1.25 0.09 0.00 0.00 178.83 180.00 2cr7 h LEU 58 N 0.32 -1.34 -3.72 0.06 5.85 -1.53 -0.69 115.31 114.26 2cr7 h LEU 58 Ca 0.38 0.19 -0.49 0.00 0.84 0.00 0.00 57.88 58.80 2cr7 h LEU 58 Cb 0.60 0.56 -0.25 0.00 0.37 0.00 0.00 40.66 41.94 2cr7 h LEU 58 CO -0.44 -0.41 0.63 0.49 -0.34 0.00 0.00 178.44 178.37 2cr7 n PHE 59 N -5.43 2.58 -0.28 1.25 3.72 -0.77 -4.63 117.46 113.90 2cr7 n PHE 59 Ca -0.03 -2.11 0.09 0.00 -0.05 0.00 0.00 57.45 55.35 2cr7 n PHE 59 Cb 0.36 -1.04 0.24 0.00 -0.94 0.00 0.00 39.48 38.10 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 1.30 0.46 0.00 1.38 2.07 0.65 0.63 115.15 121.64 2cr7 h HIS 60 Ca 0.51 0.04 -0.05 0.00 -2.85 0.00 0.00 60.37 58.03 2cr7 h HIS 60 Cb 1.73 -0.08 -0.01 0.00 2.57 0.00 0.00 27.41 31.63 2cr7 h HIS 60 CO 1.27 -0.06 -0.23 0.93 -3.07 0.00 0.00 177.93 176.76 2cr7 h GLU 61 N 0.34 0.00 -3.42 5.12 5.08 -1.83 -3.35 114.58 116.53 2cr7 h GLU 61 Ca 0.49 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 58.16 2cr7 h GLU 61 Cb 0.88 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.77 2cr7 h GLU 61 CO -0.52 0.23 -0.28 -1.01 -1.00 0.00 0.00 179.01 176.43 2cr7 s HIS 62 N -3.84 3.60 0.31 4.33 3.76 0.22 -4.90 115.29 118.76 2cr7 s HIS 62 Ca -0.01 -2.91 0.09 0.00 -0.15 0.00 0.00 55.06 52.08 2cr7 s HIS 62 Cb 0.12 -3.16 0.49 0.00 1.11 0.00 0.00 32.58 31.13 2cr7 s HIS 62 CO 0.64 -0.77 1.70 -1.00 -0.85 0.00 0.00 174.74 174.46 2cr7 h PRO 63 N 6.46 0.10 -0.80 8.40 0.13 -1.70 -3.09 132.00 141.51 2cr7 h PRO 63 Ca 0.07 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 65.23 2cr7 h PRO 63 Cb 0.88 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.94 2cr7 h PRO 63 CO 0.77 0.56 0.46 0.22 -0.23 0.00 0.00 178.00 179.77 2cr7 h ASP 64 N 0.08 0.67 -0.27 1.44 3.58 -1.90 -1.42 116.42 118.60 2cr7 h ASP 64 Ca 0.00 0.04 -0.18 0.00 0.42 0.00 0.00 57.03 57.32 2cr7 h ASP 64 Cb 0.87 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2cr7 h ASP 64 CO 0.07 0.40 -0.52 -0.07 -2.88 0.00 0.00 179.24 176.24 2cr7 h LEU 65 N 0.79 0.92 -0.82 2.28 3.38 -1.90 -2.34 115.31 117.61 2cr7 h LEU 65 Ca 0.37 -0.54 0.08 0.00 0.09 0.00 0.00 57.88 57.88 2cr7 h LEU 65 Cb 0.30 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 2cr7 h LEU 65 CO -0.23 1.29 0.49 0.40 0.09 0.00 0.00 178.44 180.48 2cr7 h ILE 66 N 0.59 0.96 -0.20 1.22 2.04 -1.30 -2.31 117.51 118.51 2cr7 h ILE 66 Ca 0.01 -0.29 -0.12 0.00 1.00 0.00 0.00 64.86 65.46 2cr7 h ILE 66 Cb 1.13 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2cr7 h ILE 66 CO 0.12 0.15 -0.35 0.58 0.00 0.00 0.00 178.15 178.65 2cr7 h VAL 67 N 0.85 1.33 -0.46 1.67 2.07 -1.27 -3.29 116.25 117.15 2cr7 h VAL 67 Ca 0.38 -1.58 0.09 0.00 0.82 0.00 0.00 66.70 66.41 2cr7 h VAL 67 Cb 0.28 1.85 -0.10 0.00 -1.52 0.00 0.00 31.29 31.80 2cr7 h VAL 67 CO -0.21 0.49 -0.32 1.23 0.02 0.00 0.00 177.57 178.77 2cr7 h GLY 68 N 0.27 -0.19 0.00 2.17 0.00 -0.87 0.55 103.07 104.99 2cr7 h GLY 68 Ca 0.01 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.76 2cr7 h GLY 68 CO 0.08 -0.21 0.00 0.33 0.00 0.00 0.00 176.54 176.74 2cr7 n PHE 69 N -5.42 0.00 -0.16 5.60 7.35 -1.02 -0.14 117.46 123.67 2cr7 n PHE 69 Ca 0.02 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.88 2cr7 n PHE 69 Cb 0.34 -0.47 0.53 0.00 0.35 0.00 0.00 39.48 40.23 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 0.34 0.13 -2.13 2.35 -1.63 0.73 115.58 115.38 2cr7 h ASN 70 Ca 0.00 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2cr7 h ASN 70 Cb 0.00 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.28 2cr7 h ASN 70 CO 0.00 0.17 -0.50 0.00 -1.65 0.00 0.00 177.43 175.45 2cr7 h ALA 71 N 1.65 -0.93 0.05 -0.83 0.00 0.18 -3.20 119.26 116.18 2cr7 h ALA 71 Ca 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2cr7 h ALA 71 Cb 0.92 0.85 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2cr7 h ALA 71 CO -0.11 -1.10 -0.02 0.27 0.00 0.00 0.00 179.25 178.29 2cr7 h PHE 72 N -0.74 -0.06 -0.98 0.00 -0.00 -0.72 -3.46 116.94 110.98 2cr7 h PHE 72 Ca 0.00 -0.00 -0.75 0.00 -0.00 0.00 0.00 57.97 57.22 2cr7 h PHE 72 Cb 0.75 0.02 0.06 0.00 -0.00 0.00 0.00 35.95 36.78 2cr7 h PHE 72 CO -0.43 0.57 -0.06 -0.11 -0.00 0.00 0.00 178.31 178.29 2cr7 n LEU 73 N -4.79 -0.26 -4.77 2.10 7.94 0.20 -4.89 117.00 112.54 2cr7 n LEU 73 Ca -0.08 1.14 -0.32 0.00 -1.11 0.00 0.00 56.01 55.63 2cr7 n LEU 73 Cb 0.32 -0.91 0.06 0.00 0.53 0.00 0.00 43.42 43.42 2cr7 n LEU 73 CO 0.30 -2.10 0.73 -2.16 -1.11 0.00 0.00 177.39 173.05 2cr7 s PRO 74 N -0.20 2.61 0.03 1.96 0.04 -1.26 -4.86 135.00 133.32 2cr7 s PRO 74 Ca 0.84 1.31 0.03 0.00 0.04 0.00 0.00 61.00 63.23 2cr7 s PRO 74 Cb -1.18 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 31.41 2cr7 s PRO 74 CO 0.56 -1.39 -0.10 -1.12 0.04 0.00 0.00 177.00 174.99 2cr7 s SER 75 N -2.86 1.15 0.00 6.66 0.01 -1.26 -5.06 113.70 112.33 2cr7 s SER 75 Ca 0.65 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2cr7 s SER 75 Cb -0.19 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2cr7 s SER 75 CO 0.47 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.70 2cr7 n GLY 76 N 2.08 -1.52 0.27 3.44 0.00 -1.26 -4.33 105.19 103.87 2cr7 n GLY 76 Ca -0.18 -1.83 0.16 0.00 0.00 0.00 0.00 46.02 44.17 2cr7 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr7 h PRO 77 N 0.00 0.00 -6.49 1.61 0.13 -2.06 -3.45 132.00 121.75 2cr7 h PRO 77 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 2cr7 h PRO 77 Cb 0.00 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.21 2cr7 h PRO 77 CO 0.00 0.04 0.54 -1.13 -0.23 0.00 0.00 178.00 177.22 2cr7 n SER 78 N -3.15 2.37 -4.72 1.44 3.41 -1.26 -4.98 113.62 106.72 2cr7 n SER 78 Ca 0.00 1.13 -0.23 0.00 -0.26 0.00 0.00 58.87 59.51 2cr7 n SER 78 Cb 0.31 -1.36 0.10 0.00 -0.26 0.00 0.00 64.21 63.00 2cr7 n SER 78 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cr7 s SER 79 N 0.33 4.46 0.00 4.04 0.15 -1.26 -4.76 113.70 116.66 2cr7 s SER 79 Ca 0.72 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.00 2cr7 s SER 79 Cb -0.73 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 2cr7 s SER 79 CO 0.48 -1.78 0.00 0.61 1.20 0.00 0.00 173.24 173.75