#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 2.05 -3.58 1.61 3.41 -1.26 -5.08 113.62 110.77 2cr7 n SER 2 Ca 0.00 0.05 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 2cr7 n SER 2 Cb 0.00 -0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 63.44 2cr7 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cr7 s SER 3 N -6.42 0.54 0.00 4.04 0.15 -1.26 -5.07 113.70 105.69 2cr7 s SER 3 Ca -0.29 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.04 2cr7 s SER 3 Cb 0.09 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 2cr7 s SER 3 CO 0.44 -1.19 0.00 0.61 1.20 0.00 0.00 173.24 174.30 2cr7 n GLY 4 N -0.48 -0.70 3.09 9.45 0.00 -1.26 -5.06 105.19 110.23 2cr7 n GLY 4 Ca 0.00 0.34 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 2cr7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr7 s SER 5 N -1.00 5.21 0.06 1.61 0.15 -1.26 -5.03 113.70 113.44 2cr7 s SER 5 Ca 0.00 -2.90 -0.27 0.00 0.70 0.00 0.00 55.95 53.47 2cr7 s SER 5 Cb 0.00 -1.85 0.09 0.00 -1.71 0.00 0.00 66.02 62.55 2cr7 s SER 5 CO 0.00 -0.35 0.95 -0.55 1.20 0.00 0.00 173.24 174.48 2cr7 s SER 6 N 0.60 -0.26 -0.96 5.45 0.15 -1.26 -5.02 113.70 112.39 2cr7 s SER 6 Ca 0.17 -0.18 -0.03 0.00 0.70 0.00 0.00 55.95 56.62 2cr7 s SER 6 Cb -0.20 0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 64.49 2cr7 s SER 6 CO -0.03 -0.72 0.82 0.61 1.20 0.00 0.00 173.24 175.12 2cr7 n GLY 7 N -0.35 -0.58 3.79 9.45 0.00 -1.26 -4.99 105.19 111.26 2cr7 n GLY 7 Ca -0.07 0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.32 3.58 1.15 1.61 -7.23 -1.26 -5.04 120.40 109.88 2cr7 s VAL 8 Ca 0.21 0.69 -0.18 0.00 -1.81 0.00 0.00 61.98 60.88 2cr7 s VAL 8 Cb -0.03 -3.23 0.27 0.00 0.56 0.00 0.00 36.38 33.95 2cr7 s VAL 8 CO 0.63 -0.50 1.15 -1.00 -0.31 0.00 0.00 175.10 175.08 2cr7 s HIS 9 N -2.53 0.74 -0.06 2.82 3.76 -1.26 -5.02 115.29 113.74 2cr7 s HIS 9 Ca 0.64 0.46 0.06 0.00 -0.15 0.00 0.00 55.06 56.07 2cr7 s HIS 9 Cb -0.18 -3.59 -0.08 0.00 1.11 0.00 0.00 32.58 29.84 2cr7 s HIS 9 CO 0.43 -3.61 0.02 0.28 -0.85 0.00 0.00 174.74 171.01 2cr7 n VAL 10 N -4.54 0.44 0.15 -0.90 0.31 -1.26 -4.53 118.33 107.99 2cr7 n VAL 10 Ca 0.13 -0.27 0.10 0.00 -0.01 0.00 0.00 64.34 64.29 2cr7 n VAL 10 Cb 0.59 -0.83 0.52 0.00 -0.91 0.00 0.00 33.84 33.21 2cr7 n VAL 10 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2cr7 n GLU 11 N -2.23 0.12 -3.48 5.55 0.28 -1.26 -4.49 120.64 115.13 2cr7 n GLU 11 Ca -0.10 0.62 -0.37 0.00 -0.16 0.00 0.00 57.16 57.15 2cr7 n GLU 11 Cb 0.71 -1.94 -0.07 0.00 1.43 0.00 0.00 31.44 31.57 2cr7 n GLU 11 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2cr7 s ASP 12 N -3.88 6.52 0.00 -1.84 1.47 -1.26 -4.92 116.67 112.75 2cr7 s ASP 12 Ca -0.02 0.61 0.00 0.00 1.18 0.00 0.00 52.55 54.32 2cr7 s ASP 12 Cb 0.05 -2.21 0.00 0.00 -0.34 0.00 0.00 42.92 40.42 2cr7 s ASP 12 CO 0.17 0.09 0.00 0.00 0.68 0.00 0.00 175.17 176.11 2cr7 n ALA 13 N 3.51 2.40 0.36 2.11 0.00 -1.26 -4.79 120.51 122.85 2cr7 n ALA 13 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.27 2cr7 n ALA 13 Cb 0.52 0.22 0.06 0.00 0.00 0.00 0.00 19.45 20.25 2cr7 n ALA 13 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2cr7 n LEU 14 N -2.26 3.88 -0.08 0.00 -0.00 -1.26 -3.73 117.00 113.55 2cr7 n LEU 14 Ca 0.00 -2.00 -0.08 0.00 -0.00 0.00 0.00 56.01 53.93 2cr7 n LEU 14 Cb 0.22 -0.59 -0.16 0.00 -0.00 0.00 0.00 43.42 42.89 2cr7 n LEU 14 CO 0.00 0.62 -1.01 1.07 -0.00 0.00 0.00 177.39 178.07 2cr7 n THR 15 N 0.04 1.31 0.10 1.47 5.66 -1.26 -3.90 114.28 117.70 2cr7 n THR 15 Ca 0.16 -0.82 -0.16 0.00 -3.05 0.00 0.00 64.05 60.19 2cr7 n THR 15 Cb 0.81 -0.52 -0.14 0.00 -1.55 0.00 0.00 70.33 68.93 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 0.47 -0.15 1.09 5.03 -1.94 -3.29 116.97 118.18 2cr7 h TYR 16 Ca -0.46 -0.34 -0.12 0.00 2.58 0.00 0.00 58.73 60.39 2cr7 h TYR 16 Cb 2.10 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 40.35 2cr7 h TYR 16 CO 0.00 1.28 -0.44 1.25 -1.32 0.00 0.00 178.16 178.93 2cr7 h LEU 17 N 0.07 0.38 -2.02 2.82 6.46 -1.78 -2.81 115.31 118.43 2cr7 h LEU 17 Ca -0.14 -0.17 0.11 0.00 -0.12 0.00 0.00 57.88 57.56 2cr7 h LEU 17 Cb 1.97 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.78 2cr7 h LEU 17 CO 0.20 0.77 0.40 -0.78 -0.62 0.00 0.00 178.44 178.41 2cr7 h ASP 18 N 0.29 0.00 0.01 1.25 1.82 -1.67 -1.35 116.42 116.77 2cr7 h ASP 18 Ca 0.02 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.62 2cr7 h ASP 18 Cb 0.89 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.90 2cr7 h ASP 18 CO 0.07 0.00 -0.22 1.56 -1.61 0.00 0.00 179.24 179.04 2cr7 h GLN 19 N 0.00 0.02 -0.23 0.28 1.08 -1.65 -3.03 115.11 111.58 2cr7 h GLN 19 Ca 0.18 -0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.40 2cr7 h GLN 19 Cb 0.98 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.41 2cr7 h GLN 19 CO -0.00 1.02 0.24 -0.39 -0.95 0.00 0.00 178.83 178.75 2cr7 h VAL 20 N -0.95 0.48 0.02 -0.54 -1.51 -1.30 0.34 116.25 112.79 2cr7 h VAL 20 Ca -0.05 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.41 2cr7 h VAL 20 Cb 1.09 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2cr7 h VAL 20 CO -0.01 0.00 -0.01 0.50 -1.23 0.00 0.00 177.57 176.81 2cr7 h LYS 21 N 0.00 -0.03 0.18 5.19 3.64 -1.42 -2.94 116.57 121.18 2cr7 h LYS 21 Ca 0.11 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2cr7 h LYS 21 Cb 0.59 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2cr7 h LYS 21 CO -0.00 0.67 -0.09 0.82 -2.27 0.00 0.00 179.45 178.58 2cr7 h ILE 22 N -0.93 0.94 -0.33 2.00 2.04 -1.27 -3.15 117.51 116.81 2cr7 h ILE 22 Ca -0.00 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.27 2cr7 h ILE 22 Cb 0.72 1.33 -0.08 0.00 -0.74 0.00 0.00 36.82 38.04 2cr7 h ILE 22 CO 0.01 0.15 -0.27 -0.09 0.00 0.00 0.00 178.15 177.95 2cr7 h ARG 23 N -0.57 -0.22 -1.86 2.37 9.65 -0.52 -0.05 114.38 123.18 2cr7 h ARG 23 Ca -0.02 0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.76 2cr7 h ARG 23 Cb 0.43 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.01 2cr7 h ARG 23 CO 0.04 -0.15 0.11 1.19 2.80 0.00 0.00 179.97 183.96 2cr7 n PHE 24 N -5.40 0.47 0.04 2.20 3.72 -1.11 -4.43 117.46 112.95 2cr7 n PHE 24 Ca 0.00 -1.31 -0.13 0.00 -0.05 0.00 0.00 57.45 55.96 2cr7 n PHE 24 Cb 0.31 -0.69 -0.09 0.00 -0.94 0.00 0.00 39.48 38.08 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 2.95 -0.10 0.09 1.37 0.00 -0.95 -2.90 103.07 103.53 2cr7 h GLY 25 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2cr7 h GLY 25 CO 0.24 -0.04 0.00 1.44 0.00 0.00 0.00 176.54 178.19 2cr7 n SER 26 N -4.98 0.53 -3.65 0.19 7.64 -1.26 -4.34 113.62 107.74 2cr7 n SER 26 Ca -0.08 -1.56 -0.28 0.00 1.01 0.00 0.00 58.87 57.96 2cr7 n SER 26 Cb 0.20 -0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.25 2cr7 n SER 26 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2cr7 s ASP 27 N -1.52 3.21 0.33 6.43 1.01 -1.10 -4.94 116.67 120.09 2cr7 s ASP 27 Ca 0.27 -3.33 0.12 0.00 0.71 0.00 0.00 52.55 50.33 2cr7 s ASP 27 Cb 0.13 -1.03 0.58 0.00 1.01 0.00 0.00 42.92 43.61 2cr7 s ASP 27 CO 0.21 -0.15 1.74 1.55 0.21 0.00 0.00 175.17 178.73 2cr7 h PRO 28 N 5.71 0.00 -0.42 8.23 0.13 -1.76 -3.15 132.00 140.74 2cr7 h PRO 28 Ca 0.17 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.34 2cr7 h PRO 28 Cb 0.85 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.94 2cr7 h PRO 28 CO 0.53 0.47 0.20 0.00 -0.23 0.00 0.00 178.00 178.98 2cr7 h ALA 29 N 1.53 0.52 0.47 -0.56 0.00 -1.92 -0.56 119.26 118.75 2cr7 h ALA 29 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2cr7 h ALA 29 Cb 0.85 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2cr7 h ALA 29 CO 0.06 -0.16 -0.23 1.15 0.00 0.00 0.00 179.25 180.08 2cr7 h THR 30 N 0.41 0.50 -0.67 0.00 2.02 -1.92 -3.01 112.91 110.25 2cr7 h THR 30 Ca 0.18 -0.28 0.13 0.00 0.77 0.00 0.00 66.41 67.21 2cr7 h THR 30 Cb 0.09 0.63 -0.10 0.00 -1.74 0.00 0.00 68.15 67.04 2cr7 h THR 30 CO -0.13 0.05 0.16 0.22 0.37 0.00 0.00 175.52 176.18 2cr7 h TYR 31 N -0.81 0.25 -0.51 3.16 3.20 -1.51 -1.37 116.97 119.37 2cr7 h TYR 31 Ca -0.06 0.04 0.10 0.00 3.14 0.00 0.00 58.73 61.95 2cr7 h TYR 31 Cb 0.56 -0.01 -0.10 0.00 1.54 0.00 0.00 36.73 38.72 2cr7 h TYR 31 CO -0.01 -0.05 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.35 2cr7 h ASN 32 N 0.28 -0.72 -0.91 -2.11 2.35 -1.03 0.32 115.58 113.75 2cr7 h ASN 32 Ca 0.36 0.18 0.04 0.00 -0.55 0.00 0.00 56.30 56.33 2cr7 h ASN 32 Cb 0.57 0.41 -0.05 0.00 0.05 0.00 0.00 38.32 39.29 2cr7 h ASN 32 CO -0.45 -0.24 0.59 1.23 -1.65 0.00 0.00 177.43 176.92 2cr7 h GLY 33 N -0.09 1.31 2.00 2.83 0.00 -1.13 0.40 103.07 108.40 2cr7 h GLY 33 Ca 0.24 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2cr7 h GLY 33 CO -0.57 0.36 -0.04 -2.75 0.00 0.00 0.00 176.54 173.54 2cr7 h PHE 34 N 1.11 0.00 0.03 5.60 3.57 -0.58 -2.54 116.94 124.12 2cr7 h PHE 34 Ca 0.37 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.54 2cr7 h PHE 34 Cb 0.08 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 2cr7 h PHE 34 CO -0.00 0.04 -1.92 1.28 -2.23 0.00 0.00 178.31 175.48 2cr7 n LEU 35 N -3.23 1.32 0.03 0.59 4.77 -0.16 -3.74 117.00 116.57 2cr7 n LEU 35 Ca -0.01 0.28 0.09 0.00 -0.03 0.00 0.00 56.01 56.33 2cr7 n LEU 35 Cb 0.22 -0.17 0.38 0.00 -2.33 0.00 0.00 43.42 41.51 2cr7 n LEU 35 CO 0.26 0.55 0.78 -1.84 -1.33 0.00 0.00 177.39 175.81 2cr7 n GLU 36 N -3.13 0.04 -0.04 3.23 0.28 -0.05 -2.45 120.64 118.53 2cr7 n GLU 36 Ca -0.25 0.26 -0.15 0.00 -0.16 0.00 0.00 57.16 56.87 2cr7 n GLU 36 Cb 1.06 -1.58 -0.14 0.00 1.43 0.00 0.00 31.44 32.22 2cr7 n GLU 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2cr7 n ILE 37 N -1.65 1.62 0.14 3.84 5.41 -1.03 -3.85 119.36 123.83 2cr7 n ILE 37 Ca 0.04 -0.73 -0.01 0.00 1.00 0.00 0.00 62.75 63.05 2cr7 n ILE 37 Cb 0.20 -1.25 0.16 0.00 -0.71 0.00 0.00 39.64 38.05 2cr7 n ILE 37 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 2cr7 h MET 38 N 0.03 0.00 -0.11 0.38 2.86 -1.59 -3.09 114.93 113.40 2cr7 h MET 38 Ca -0.41 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.09 2cr7 h MET 38 Cb 2.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.69 2cr7 h MET 38 CO 0.05 0.62 -0.52 1.57 1.06 0.00 0.00 176.91 179.68 2cr7 h LYS 39 N 0.00 0.31 0.53 1.72 2.10 -1.65 -2.64 116.57 116.95 2cr7 h LYS 39 Ca -0.01 -0.19 -0.03 0.00 -2.00 0.00 0.00 60.65 58.43 2cr7 h LYS 39 Cb 1.16 0.02 0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2cr7 h LYS 39 CO 0.08 0.76 -0.25 0.93 -2.00 0.00 0.00 179.45 178.97 2cr7 h GLU 40 N 0.25 -0.68 -0.53 0.07 4.39 -1.64 -2.24 114.58 114.19 2cr7 h GLU 40 Ca 0.01 0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.81 2cr7 h GLU 40 Cb 1.01 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.76 2cr7 h GLU 40 CO 0.09 -0.40 0.25 0.35 -1.16 0.00 0.00 179.01 178.14 2cr7 h PHE 41 N -0.86 0.45 -0.25 4.33 3.04 -1.60 0.16 116.94 122.21 2cr7 h PHE 41 Ca -0.07 0.02 0.07 0.00 3.98 0.00 0.00 57.97 61.97 2cr7 h PHE 41 Cb 0.60 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 2cr7 h PHE 41 CO -0.01 0.20 0.20 -0.22 -2.02 0.00 0.00 178.31 176.46 2cr7 h LYS 42 N 0.48 0.00 -0.87 1.11 3.64 -1.42 0.10 116.57 119.61 2cr7 h LYS 42 Ca 0.24 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.30 2cr7 h LYS 42 Cb 0.19 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 31.82 2cr7 h LYS 42 CO -0.19 0.00 0.41 0.43 -2.27 0.00 0.00 179.45 177.83 2cr7 n SER 43 N -4.26 4.27 -3.98 4.20 7.64 -0.21 -4.90 113.62 116.38 2cr7 n SER 43 Ca 0.03 -3.29 -0.30 0.00 1.01 0.00 0.00 58.87 56.32 2cr7 n SER 43 Cb 0.35 -0.77 0.01 0.00 -1.01 0.00 0.00 64.21 62.79 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 -0.50 -4.54 -0.13 1.43 6.02 0.36 -4.88 117.38 115.14 2cr7 n GLN 44 Ca 0.46 0.52 -0.27 0.00 -0.01 0.00 0.00 57.00 57.69 2cr7 n GLN 44 Cb 1.45 -5.22 -0.11 0.00 1.02 0.00 0.00 30.24 27.38 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 -2.83 1.95 -4.68 1.08 7.64 0.40 -5.00 113.62 112.19 2cr7 n SER 45 Ca -0.04 0.30 -0.24 0.00 1.01 0.00 0.00 58.87 59.90 2cr7 n SER 45 Cb 0.56 -0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 62.89 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 -2.49 2.92 0.45 0.44 -4.36 -1.24 -4.92 121.20 111.99 2cr7 s ILE 46 Ca -0.37 -1.85 0.06 0.00 -0.26 0.00 0.00 60.65 58.24 2cr7 s ILE 46 Cb 0.13 -2.88 0.08 0.00 1.25 0.00 0.00 42.46 41.04 2cr7 s ILE 46 CO 0.52 -0.22 0.62 0.47 0.24 0.00 0.00 174.94 176.57 2cr7 n ASP 47 N -1.03 1.52 0.18 4.36 9.92 -1.26 -4.55 116.55 125.70 2cr7 n ASP 47 Ca -0.04 -2.13 -0.16 0.00 -0.53 0.00 0.00 54.79 51.94 2cr7 n ASP 47 Cb 0.61 -0.34 -0.08 0.00 -0.64 0.00 0.00 41.12 40.67 2cr7 n ASP 47 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2cr7 h THR 48 N 0.00 0.12 0.00 -3.53 2.02 -2.00 -0.70 112.91 108.82 2cr7 h THR 48 Ca -0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2cr7 h THR 48 Cb 0.94 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2cr7 h THR 48 CO 0.29 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.37 2cr7 n PRO 49 N -5.50 0.38 0.03 6.66 -0.04 -1.26 -2.94 135.00 132.34 2cr7 n PRO 49 Ca -0.09 0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.20 2cr7 n PRO 49 Cb 0.41 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.34 2.00 0.55 0.00 -1.50 -3.22 103.07 103.67 2cr7 h GLY 50 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.45 2cr7 h GLY 50 CO 0.00 0.77 0.00 1.55 0.00 0.00 0.00 176.54 178.86 2cr7 n VAL 51 N -3.83 1.11 -0.08 4.60 3.14 -1.05 -2.89 118.33 119.33 2cr7 n VAL 51 Ca -0.24 0.29 -0.21 0.00 -2.96 0.00 0.00 64.34 61.22 2cr7 n VAL 51 Cb 0.95 -1.09 -0.12 0.00 -1.06 0.00 0.00 33.84 32.52 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 1.02 0.00 1.55 2.04 -1.67 -3.11 117.51 117.33 2cr7 h ILE 52 Ca 0.00 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.62 2cr7 h ILE 52 Cb 0.23 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2cr7 h ILE 52 CO 0.00 0.45 0.00 0.08 0.00 0.00 0.00 178.15 178.68 2cr7 h ARG 53 N -0.81 0.00 0.09 2.37 0.11 -1.54 -0.47 114.38 114.14 2cr7 h ARG 53 Ca -0.31 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.53 2cr7 h ARG 53 Cb 1.39 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.47 2cr7 h ARG 53 CO -0.12 0.00 -1.23 0.00 0.10 0.00 0.00 179.97 178.72 2cr7 h ARG 54 N 0.00 0.19 -0.58 0.08 2.47 -1.66 -3.31 114.38 111.57 2cr7 h ARG 54 Ca 0.00 -0.33 -0.10 0.00 -1.26 0.00 0.00 59.98 58.29 2cr7 h ARG 54 Cb 0.08 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 2cr7 h ARG 54 CO 0.00 1.16 -0.03 0.28 0.56 0.00 0.00 179.97 181.94 2cr7 h VAL 55 N -0.46 1.27 -0.70 2.04 2.07 -1.36 -2.04 116.25 117.07 2cr7 h VAL 55 Ca -0.27 -1.17 0.11 0.00 0.82 0.00 0.00 66.70 66.18 2cr7 h VAL 55 Cb 1.63 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 32.19 2cr7 h VAL 55 CO 0.03 0.42 0.31 -1.28 0.02 0.00 0.00 177.57 177.06 2cr7 h SER 56 N 0.92 0.35 -0.08 0.57 0.87 -1.26 0.93 113.55 115.86 2cr7 h SER 56 Ca 0.16 0.08 -0.19 0.00 -1.23 0.00 0.00 61.79 60.61 2cr7 h SER 56 Cb 0.58 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2cr7 h SER 56 CO 0.03 0.19 -0.63 1.56 -0.53 0.00 0.00 176.83 177.46 2cr7 h GLN 57 N 0.51 0.69 -0.05 2.24 1.08 -1.62 -1.60 115.11 116.36 2cr7 h GLN 57 Ca 0.36 -0.48 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 2cr7 h GLN 57 Cb 0.44 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2cr7 h GLN 57 CO -0.31 1.10 0.03 1.25 -0.95 0.00 0.00 178.83 179.95 2cr7 h LEU 58 N 0.51 0.06 -3.96 1.46 5.85 -0.53 -2.72 115.31 115.97 2cr7 h LEU 58 Ca -0.01 -0.05 -0.54 0.00 0.84 0.00 0.00 57.88 58.12 2cr7 h LEU 58 Cb 1.21 -0.01 -0.30 0.00 0.37 0.00 0.00 40.66 41.93 2cr7 h LEU 58 CO 0.13 0.09 0.69 0.49 -0.34 0.00 0.00 178.44 179.50 2cr7 n PHE 59 N -5.03 3.04 -0.32 1.25 3.72 0.22 -4.63 117.46 115.71 2cr7 n PHE 59 Ca -0.06 -2.06 0.27 0.00 -0.05 0.00 0.00 57.45 55.54 2cr7 n PHE 59 Cb 0.05 -1.04 0.58 0.00 -0.94 0.00 0.00 39.48 38.14 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 1.18 0.47 0.00 1.38 2.07 -0.95 0.72 115.15 120.02 2cr7 h HIS 60 Ca 0.62 0.02 -0.17 0.00 -2.85 0.00 0.00 60.37 57.99 2cr7 h HIS 60 Cb 2.42 -0.13 -0.02 0.00 2.57 0.00 0.00 27.41 32.24 2cr7 h HIS 60 CO 1.53 0.03 -0.80 0.93 -3.07 0.00 0.00 177.93 176.55 2cr7 h GLU 61 N 0.27 0.00 -3.52 5.12 4.39 -1.86 -3.38 114.58 115.60 2cr7 h GLU 61 Ca 0.59 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 59.56 2cr7 h GLU 61 Cb 1.76 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 30.09 2cr7 h GLU 61 CO -0.22 0.80 -0.02 -1.01 -1.16 0.00 0.00 179.01 177.39 2cr7 s HIS 62 N -3.04 3.82 0.29 4.33 3.76 0.25 -4.88 115.29 119.82 2cr7 s HIS 62 Ca 0.01 -2.69 0.16 0.00 -0.15 0.00 0.00 55.06 52.38 2cr7 s HIS 62 Cb 0.10 -3.46 0.70 0.00 1.11 0.00 0.00 32.58 31.04 2cr7 s HIS 62 CO 0.79 -0.85 1.77 -1.00 -0.85 0.00 0.00 174.74 174.60 2cr7 h PRO 63 N 6.72 0.00 -0.36 8.40 0.13 -1.75 -2.95 132.00 142.19 2cr7 h PRO 63 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 2cr7 h PRO 63 Cb 0.90 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 2cr7 h PRO 63 CO 0.83 0.40 0.16 0.22 -0.23 0.00 0.00 178.00 179.38 2cr7 h ASP 64 N 0.00 0.44 0.06 1.44 3.58 -1.90 -2.27 116.42 117.77 2cr7 h ASP 64 Ca -0.00 -0.04 -0.19 0.00 0.42 0.00 0.00 57.03 57.22 2cr7 h ASP 64 Cb 0.80 -0.11 0.02 0.00 1.72 0.00 0.00 39.33 41.75 2cr7 h ASP 64 CO 0.05 0.39 -0.78 -0.07 -2.88 0.00 0.00 179.24 175.96 2cr7 h LEU 65 N 0.50 0.59 -1.12 2.28 3.38 -1.88 -2.42 115.31 116.63 2cr7 h LEU 65 Ca 0.13 -0.82 0.12 0.00 0.09 0.00 0.00 57.88 57.39 2cr7 h LEU 65 Cb 0.08 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 2cr7 h LEU 65 CO -0.02 1.34 0.61 0.40 0.09 0.00 0.00 178.44 180.86 2cr7 h ILE 66 N -0.09 0.93 0.04 1.22 2.04 -1.41 0.76 117.51 121.00 2cr7 h ILE 66 Ca -0.11 -0.31 -0.27 0.00 1.00 0.00 0.00 64.86 65.16 2cr7 h ILE 66 Cb 1.51 -0.07 0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2cr7 h ILE 66 CO 0.15 0.17 -1.10 0.58 0.00 0.00 0.00 178.15 177.95 2cr7 h VAL 67 N 0.91 1.30 0.00 1.67 2.07 -1.48 -3.22 116.25 117.50 2cr7 h VAL 67 Ca 0.46 -2.35 -0.03 0.00 0.82 0.00 0.00 66.70 65.59 2cr7 h VAL 67 Cb 0.49 2.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2cr7 h VAL 67 CO -0.22 0.72 -0.16 1.23 0.02 0.00 0.00 177.57 179.16 2cr7 h GLY 68 N 0.51 0.00 0.62 2.17 0.00 -0.81 -2.21 103.07 103.36 2cr7 h GLY 68 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 2cr7 h GLY 68 CO 0.21 0.00 -0.04 -2.75 0.00 0.00 0.00 176.54 173.96 2cr7 h PHE 69 N 0.00 0.15 0.51 5.60 3.57 -0.89 -1.47 116.94 124.41 2cr7 h PHE 69 Ca -0.00 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2cr7 h PHE 69 Cb 0.49 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2cr7 h PHE 69 CO 0.00 0.55 -0.24 -0.91 -2.23 0.00 0.00 178.31 175.48 2cr7 h ASN 70 N -0.29 -0.58 -0.52 0.41 2.35 -1.57 -2.13 115.58 113.25 2cr7 h ASN 70 Ca 0.01 -0.04 0.10 0.00 -0.55 0.00 0.00 56.30 55.82 2cr7 h ASN 70 Cb 0.52 0.15 -0.09 0.00 0.05 0.00 0.00 38.32 38.95 2cr7 h ASN 70 CO 0.01 -0.18 -0.09 0.00 -1.65 0.00 0.00 177.43 175.53 2cr7 h ALA 71 N -0.95 0.39 0.06 -0.83 0.00 -1.53 -2.99 119.26 113.42 2cr7 h ALA 71 Ca -0.07 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2cr7 h ALA 71 Cb 0.59 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2cr7 h ALA 71 CO 0.11 -0.43 -0.05 0.35 0.00 0.00 0.00 179.25 179.24 2cr7 h PHE 72 N 0.03 -0.12 -0.66 0.00 3.57 -1.32 -3.44 116.94 114.99 2cr7 h PHE 72 Ca 0.25 -0.00 -0.47 0.00 3.53 0.00 0.00 57.97 61.28 2cr7 h PHE 72 Cb 0.39 0.05 0.06 0.00 2.79 0.00 0.00 35.95 39.24 2cr7 h PHE 72 CO -0.40 -0.07 -0.22 -0.11 -2.23 0.00 0.00 178.31 175.29 2cr7 n LEU 73 N -2.47 -0.55 -4.71 0.59 7.94 -0.80 -4.79 117.00 112.22 2cr7 n LEU 73 Ca -0.01 0.76 -0.42 0.00 -1.11 0.00 0.00 56.01 55.22 2cr7 n LEU 73 Cb 0.04 -0.62 -0.03 0.00 0.53 0.00 0.00 43.42 43.34 2cr7 n LEU 73 CO 0.03 -1.74 1.08 -2.16 -1.11 0.00 0.00 177.39 173.49 2cr7 s PRO 74 N -0.43 4.31 0.07 1.96 0.04 -1.26 -4.95 135.00 134.74 2cr7 s PRO 74 Ca 0.49 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.59 2cr7 s PRO 74 Cb -0.70 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 2cr7 s PRO 74 CO 0.37 -0.48 0.02 0.45 0.04 0.00 0.00 177.00 177.40 2cr7 s SER 75 N 1.41 5.17 0.00 6.66 0.15 -1.26 -5.01 113.70 120.82 2cr7 s SER 75 Ca 0.64 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.19 2cr7 s SER 75 Cb -0.35 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 2cr7 s SER 75 CO 0.29 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.53 2cr7 n GLY 76 N 0.67 0.30 0.21 9.45 0.00 -1.26 -4.90 105.19 109.66 2cr7 n GLY 76 Ca -0.11 -1.49 0.07 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.08 -3.42 132.00 121.75 2cr7 h PRO 77 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 2cr7 h PRO 77 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2cr7 h PRO 77 CO 0.00 0.30 1.03 0.45 -0.23 0.00 0.00 178.00 179.55 2cr7 s SER 78 N -6.41 6.45 -0.13 1.44 0.15 -1.26 -4.88 113.70 109.05 2cr7 s SER 78 Ca -0.01 0.91 -0.12 0.00 0.70 0.00 0.00 55.95 57.44 2cr7 s SER 78 Cb 0.12 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 2cr7 s SER 78 CO 0.66 -1.32 -0.23 -1.20 1.20 0.00 0.00 173.24 172.36 2cr7 n SER 79 N 8.41 1.54 0.00 5.45 7.64 -1.26 -4.92 113.62 130.48 2cr7 n SER 79 Ca 0.16 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.43 2cr7 n SER 79 Cb 0.48 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2cr7 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64