#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f05 s SER 2 N 0.00 1.15 -0.01 -1.84 0.01 -1.26 -5.14 113.70 106.61 2f05 s SER 2 Ca 0.00 -0.04 -0.10 0.00 1.31 0.00 0.00 55.95 57.12 2f05 s SER 2 Cb 0.00 0.41 0.01 0.00 0.21 0.00 0.00 66.02 66.65 2f05 s SER 2 CO 0.00 -0.30 0.20 -0.62 0.41 0.00 0.00 173.24 172.93 2f05 s ASP 3 N 2.34 -0.07 -0.50 2.44 2.15 -1.26 -5.11 116.67 116.67 2f05 s ASP 3 Ca 0.06 -0.05 0.03 0.00 0.43 0.00 0.00 52.55 53.02 2f05 s ASP 3 Cb -0.15 0.26 0.13 0.00 -0.30 0.00 0.00 42.92 42.87 2f05 s ASP 3 CO -0.11 -0.37 0.26 -0.44 -0.17 0.00 0.00 175.17 174.34 2f05 s SER 4 N -1.24 4.11 0.00 -0.34 0.01 -1.26 -4.96 113.70 110.02 2f05 s SER 4 Ca -0.13 -2.91 -0.24 0.00 1.31 0.00 0.00 55.95 53.98 2f05 s SER 4 Cb -0.06 -1.45 -0.18 0.00 0.21 0.00 0.00 66.02 64.53 2f05 s SER 4 CO 0.02 -0.24 1.29 0.58 0.41 0.00 0.00 173.24 175.30 2f05 h VAL 5 N 5.40 1.38 -0.11 3.43 2.07 -1.99 0.23 116.25 126.66 2f05 h VAL 5 Ca -0.06 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 2f05 h VAL 5 Cb 0.90 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2f05 h VAL 5 CO 0.63 0.33 -0.15 -0.33 0.02 0.00 0.00 177.57 178.08 2f05 h GLU 6 N -0.31 0.18 -0.07 1.57 5.08 -1.99 0.12 114.58 119.16 2f05 h GLU 6 Ca 0.01 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2f05 h GLU 6 Cb 0.57 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2f05 h GLU 6 CO 0.01 0.33 -0.16 0.35 -1.00 0.00 0.00 179.01 178.55 2f05 h PHE 7 N 0.17 0.29 -0.17 4.33 3.57 -1.96 -0.28 116.94 122.89 2f05 h PHE 7 Ca 0.03 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 2f05 h PHE 7 Cb 0.37 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2f05 h PHE 7 CO 0.00 0.76 -0.12 -0.91 -2.23 0.00 0.00 178.31 175.81 2f05 h ASN 8 N -0.26 0.25 -0.43 0.41 2.35 -0.12 0.64 115.58 118.42 2f05 h ASN 8 Ca 0.00 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 2f05 h ASN 8 Cb 0.75 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 2f05 h ASN 8 CO 0.03 0.41 0.07 0.78 -1.65 0.00 0.00 177.43 177.07 2f05 h ASN 9 N 0.25 0.69 -0.62 5.81 2.35 -0.72 -0.19 115.58 123.16 2f05 h ASN 9 Ca 0.05 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.50 2f05 h ASN 9 Cb 0.38 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 2f05 h ASN 9 CO 0.02 0.78 0.24 0.00 -1.65 0.00 0.00 177.43 176.81 2f05 h ALA 10 N 0.94 1.19 -0.27 -0.83 0.00 0.28 -1.23 119.26 119.34 2f05 h ALA 10 Ca 0.13 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2f05 h ALA 10 Cb 0.38 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2f05 h ALA 10 CO 0.01 0.58 -0.25 0.82 0.00 0.00 0.00 179.25 180.41 2f05 h ILE 11 N 0.94 1.27 -0.62 0.00 1.08 0.59 0.43 117.51 121.19 2f05 h ILE 11 Ca 0.22 -1.28 -0.04 0.00 -0.39 0.00 0.00 64.86 63.37 2f05 h ILE 11 Cb 0.22 1.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.27 2f05 h ILE 11 CO -0.02 0.41 0.23 0.28 -0.69 0.00 0.00 178.15 178.37 2f05 h SER 12 N 0.46 0.88 -0.28 1.72 0.02 -0.44 0.60 113.55 116.50 2f05 h SER 12 Ca 0.07 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2f05 h SER 12 Cb 0.68 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2f05 h SER 12 CO 0.05 0.82 0.17 0.22 -1.14 0.00 0.00 176.83 176.95 2f05 h TYR 13 N 0.88 0.38 -0.44 3.45 3.20 -0.57 -0.40 116.97 123.47 2f05 h TYR 13 Ca 0.21 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 2f05 h TYR 13 Cb 0.23 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 2f05 h TYR 13 CO 0.01 0.29 0.13 0.28 -1.64 0.00 0.00 178.16 177.23 2f05 h VAL 14 N 0.35 1.23 -0.72 1.81 2.07 0.33 -0.21 116.25 121.10 2f05 h VAL 14 Ca 0.10 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.87 2f05 h VAL 14 Cb 0.03 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2f05 h VAL 14 CO -0.02 0.27 0.47 -1.13 0.02 0.00 0.00 177.57 177.18 2f05 h ASN 15 N 0.57 0.84 -0.69 0.57 -0.73 0.28 0.17 115.58 116.59 2f05 h ASN 15 Ca 0.14 -0.03 -0.07 0.00 1.87 0.00 0.00 56.30 58.21 2f05 h ASN 15 Cb 0.28 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.64 2f05 h ASN 15 CO -0.00 0.61 0.16 0.50 -0.37 0.00 0.00 177.43 178.33 2f05 h LYS 16 N 0.98 1.11 -0.34 6.67 3.64 -0.53 -0.26 116.57 127.85 2f05 h LYS 16 Ca 0.26 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2f05 h LYS 16 Cb -0.10 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 2f05 h LYS 16 CO -0.06 0.99 0.22 0.82 -2.27 0.00 0.00 179.45 179.15 2f05 h ILE 17 N 1.04 1.08 -0.37 2.00 2.04 0.15 0.22 117.51 123.67 2f05 h ILE 17 Ca 0.21 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 66.00 2f05 h ILE 17 Cb 0.38 0.59 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 2f05 h ILE 17 CO 0.00 0.08 -0.17 0.11 0.00 0.00 0.00 178.15 178.18 2f05 h LYS 18 N 0.45 -0.10 -0.25 2.37 1.57 -0.05 -1.83 116.57 118.73 2f05 h LYS 18 Ca 0.12 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2f05 h LYS 18 Cb -0.05 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2f05 h LYS 18 CO -0.03 -0.07 0.01 1.15 -0.57 0.00 0.00 179.45 179.94 2f05 h THR 19 N -0.10 1.25 0.00 -0.16 2.02 -0.74 -0.63 112.91 114.54 2f05 h THR 19 Ca 0.18 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 2f05 h THR 19 Cb 0.39 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2f05 h THR 19 CO -0.44 0.28 -0.12 0.03 0.37 0.00 0.00 175.52 175.64 2f05 h ARG 20 N 0.22 0.00 -0.38 6.66 2.47 -0.22 -2.31 114.38 120.82 2f05 h ARG 20 Ca 0.07 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.51 2f05 h ARG 20 Cb 0.40 0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 28.38 2f05 h ARG 20 CO 0.01 0.12 -0.90 1.19 0.56 0.00 0.00 179.97 180.95 2f05 n PHE 21 N -3.52 1.28 0.20 3.04 3.72 -0.72 -4.86 117.46 116.60 2f05 n PHE 21 Ca -0.01 -1.75 0.05 0.00 -0.05 0.00 0.00 57.45 55.69 2f05 n PHE 21 Cb 0.26 -0.25 0.52 0.00 -0.94 0.00 0.00 39.48 39.06 2f05 n PHE 21 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2f05 h LEU 22 N 1.89 0.07 -0.10 4.37 6.46 -0.51 0.97 115.31 128.45 2f05 h LEU 22 Ca 0.03 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2f05 h LEU 22 Cb 1.42 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.33 2f05 h LEU 22 CO 0.32 0.17 0.00 -0.78 -0.62 0.00 0.00 178.44 177.53 2f05 h ASP 23 N 0.07 0.00 -3.69 1.25 3.58 -1.84 -3.40 116.42 112.39 2f05 h ASP 23 Ca 0.02 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 56.84 2f05 h ASP 23 Cb 0.22 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 40.86 2f05 h ASP 23 CO 0.01 0.00 -0.66 -1.00 -2.88 0.00 0.00 179.24 174.72 2f05 s HIS 24 N -3.18 2.92 0.30 0.28 3.76 0.34 -4.92 115.29 114.79 2f05 s HIS 24 Ca 0.09 -3.02 0.30 0.00 -0.15 0.00 0.00 55.06 52.28 2f05 s HIS 24 Cb 0.09 -2.48 1.39 0.00 1.11 0.00 0.00 32.58 32.70 2f05 s HIS 24 CO 0.61 -0.70 2.02 -1.35 -0.85 0.00 0.00 174.74 174.47 2f05 h PRO 25 N 6.17 0.00 -0.31 8.40 0.11 -1.78 -2.66 132.00 141.93 2f05 h PRO 25 Ca 0.02 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 2f05 h PRO 25 Cb 0.86 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 2f05 h PRO 25 CO 0.64 0.11 -0.09 1.05 -0.21 0.00 0.00 178.00 179.50 2f05 h GLU 26 N 0.00 0.51 -0.18 1.05 4.11 -1.91 -0.53 114.58 117.63 2f05 h GLU 26 Ca -0.00 -0.14 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 2f05 h GLU 26 Cb 0.45 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2f05 h GLU 26 CO 0.01 0.61 0.01 0.82 0.07 0.00 0.00 179.01 180.53 2f05 h ILE 27 N 0.48 1.25 -0.13 -1.06 2.04 -1.82 0.29 117.51 118.56 2f05 h ILE 27 Ca 0.09 -0.83 0.03 0.00 1.00 0.00 0.00 64.86 65.16 2f05 h ILE 27 Cb 0.45 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2f05 h ILE 27 CO 0.02 0.25 -0.08 0.22 0.00 0.00 0.00 178.15 178.56 2f05 h TYR 28 N 0.07 -0.19 -0.42 1.37 3.20 -1.51 -1.51 116.97 117.98 2f05 h TYR 28 Ca 0.05 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 2f05 h TYR 28 Cb 0.37 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2f05 h TYR 28 CO 0.03 -0.13 -0.20 0.00 -1.64 0.00 0.00 178.16 176.22 2f05 h ARG 29 N -0.08 0.83 0.00 1.82 3.08 -0.90 -0.07 114.38 119.06 2f05 h ARG 29 Ca 0.08 -0.33 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 2f05 h ARG 29 Cb 0.19 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2f05 h ARG 29 CO -0.18 0.96 -0.37 0.77 -1.07 0.00 0.00 179.97 180.07 2f05 h SER 30 N 0.72 0.00 -0.03 7.04 0.02 -0.14 -2.09 113.55 119.07 2f05 h SER 30 Ca 0.10 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.88 2f05 h SER 30 Cb 0.72 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.28 2f05 h SER 30 CO 0.06 0.37 -0.64 0.15 -1.14 0.00 0.00 176.83 175.63 2f05 h PHE 31 N 0.00 0.70 -0.95 3.45 3.57 -0.88 -3.32 116.94 119.51 2f05 h PHE 31 Ca -0.00 -0.36 0.15 0.00 3.53 0.00 0.00 57.97 61.28 2f05 h PHE 31 Cb 0.68 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.25 2f05 h PHE 31 CO 0.00 1.17 0.60 -0.07 -2.23 0.00 0.00 178.31 177.79 2f05 h LEU 32 N 0.03 0.76 -1.62 0.59 3.38 -0.55 0.11 115.31 118.01 2f05 h LEU 32 Ca -0.07 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2f05 h LEU 32 Cb 1.32 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2f05 h LEU 32 CO 0.13 0.37 -0.21 1.05 0.09 0.00 0.00 178.44 179.87 2f05 h GLU 33 N 0.80 0.00 -0.07 1.13 4.11 -1.49 0.11 114.58 119.18 2f05 h GLU 33 Ca 0.49 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.75 2f05 h GLU 33 Cb 0.70 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.97 2f05 h GLU 33 CO -0.26 0.21 -0.62 0.82 0.07 0.00 0.00 179.01 179.23 2f05 h ILE 34 N 0.00 1.37 -0.29 -1.06 2.04 -0.91 -1.81 117.51 116.84 2f05 h ILE 34 Ca -0.00 -1.96 -0.04 0.00 1.00 0.00 0.00 64.86 63.86 2f05 h ILE 34 Cb 0.40 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2f05 h ILE 34 CO 0.03 0.59 0.02 0.25 0.00 0.00 0.00 178.15 179.04 2f05 h LEU 35 N 0.12 0.49 -1.23 1.44 7.12 -0.58 0.40 115.31 123.07 2f05 h LEU 35 Ca -0.06 -0.29 -0.08 0.00 0.13 0.00 0.00 57.88 57.59 2f05 h LEU 35 Cb 1.28 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.27 2f05 h LEU 35 CO 0.12 0.65 -0.29 0.45 -0.13 0.00 0.00 178.44 179.25 2f05 h HIS 36 N 0.31 0.17 -0.23 1.25 3.86 -0.88 -1.08 115.15 118.55 2f05 h HIS 36 Ca 0.09 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 2f05 h HIS 36 Cb 0.39 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2f05 h HIS 36 CO 0.03 0.44 0.03 1.15 0.86 0.00 0.00 177.93 180.44 2f05 h THR 37 N 0.14 1.23 -0.62 2.45 2.02 -0.86 -2.68 112.91 114.60 2f05 h THR 37 Ca 0.02 -0.79 0.05 0.00 0.77 0.00 0.00 66.41 66.47 2f05 h THR 37 Cb 0.59 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 2f05 h THR 37 CO 0.04 0.25 0.34 0.22 0.37 0.00 0.00 175.52 176.74 2f05 h TYR 38 N 0.19 0.62 -0.78 3.16 3.20 0.56 -0.60 116.97 123.32 2f05 h TYR 38 Ca 0.07 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 2f05 h TYR 38 Cb 0.34 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 2f05 h TYR 38 CO 0.02 0.30 0.32 1.96 -1.64 0.00 0.00 178.16 179.13 2f05 h GLN 39 N 0.64 1.15 -0.29 1.82 4.20 -1.19 -2.45 115.11 118.99 2f05 h GLN 39 Ca 0.27 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 2f05 h GLN 39 Cb 0.16 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2f05 h GLN 39 CO -0.17 0.92 -0.19 -0.22 -0.67 0.00 0.00 178.83 178.50 2f05 h LYS 40 N 1.13 0.53 0.00 1.46 3.11 -0.89 -1.75 116.57 120.16 2f05 h LYS 40 Ca 0.26 -0.18 0.00 0.00 -2.81 0.00 0.00 60.65 57.92 2f05 h LYS 40 Cb 0.19 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 2f05 h LYS 40 CO -0.02 0.70 0.00 0.39 -2.81 0.00 0.00 179.45 177.70 2f05 n GLU 41 N -4.15 0.28 0.03 1.90 -0.58 -0.35 -0.51 120.64 117.26 2f05 n GLU 41 Ca 0.00 0.04 -0.13 0.00 -0.42 0.00 0.00 57.16 56.65 2f05 n GLU 41 Cb 0.37 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.60 2f05 n GLU 41 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2f05 h GLN 42 N 0.00 0.14 0.03 3.49 1.08 -0.91 -3.39 115.11 115.54 2f05 h GLN 42 Ca 0.00 -0.24 -0.26 0.00 -1.45 0.00 0.00 58.65 56.71 2f05 h GLN 42 Cb 0.30 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 2f05 h GLN 42 CO 0.00 0.92 -1.39 -0.07 -0.95 0.00 0.00 178.83 177.33 2f05 h LEU 43 N 0.04 0.10 -9.23 1.46 -0.00 -1.41 -3.41 115.31 102.86 2f05 h LEU 43 Ca -0.24 -0.62 -0.59 0.00 -0.00 0.00 0.00 57.88 56.43 2f05 h LEU 43 Cb 1.98 -0.03 -0.11 0.00 -0.00 0.00 0.00 40.66 42.50 2f05 h LEU 43 CO 0.12 1.56 -0.26 -2.28 -0.00 0.00 0.00 178.44 177.59 2f05 s HIS 44 N -2.40 3.43 -0.55 1.13 2.46 0.33 -4.44 115.29 115.25 2f05 s HIS 44 Ca -0.27 0.63 -0.11 0.00 0.47 0.00 0.00 55.06 55.78 2f05 s HIS 44 Cb 0.06 -2.44 0.01 0.00 -0.13 0.00 0.00 32.58 30.08 2f05 s HIS 44 CO 0.64 0.12 0.64 0.25 -2.47 0.00 0.00 174.74 173.91 2f05 n THR 45 N 3.94-10.52 -1.76 0.89 -2.24 -1.26 -4.20 114.28 99.12 2f05 n THR 45 Ca -0.10 0.45 -0.39 0.00 -2.27 0.00 0.00 64.05 61.75 2f05 n THR 45 Cb 0.51 -7.03 0.04 0.00 -2.10 0.00 0.00 70.33 61.75 2f05 n THR 45 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2f05 s LYS 46 N -2.78 3.23 -0.68 -0.78 2.47 -1.26 -4.71 119.74 115.23 2f05 s LYS 46 Ca 0.16 2.30 -0.31 0.00 -1.56 0.00 0.00 55.97 56.56 2f05 s LYS 46 Cb -0.04 -2.34 -0.15 0.00 -1.46 0.00 0.00 37.83 33.83 2f05 s LYS 46 CO 0.77 -1.14 2.48 0.41 0.16 0.00 0.00 175.35 178.02 2f05 n GLY 47 N 0.70 -0.07 3.25 5.54 0.00 -1.26 -4.89 105.19 108.46 2f05 n GLY 47 Ca 0.09 0.96 -0.12 0.00 0.00 0.00 0.00 46.02 46.95 2f05 n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2f05 s ARG 48 N 8.03 0.76 -0.45 1.61 3.52 -1.26 -5.09 118.95 126.07 2f05 s ARG 48 Ca 1.18 -0.37 -0.26 0.00 -0.13 0.00 0.00 55.73 56.15 2f05 s ARG 48 Cb -0.87 0.33 -0.06 0.00 -1.56 0.00 0.00 34.95 32.79 2f05 s ARG 48 CO 0.43 -0.23 2.35 -1.25 -0.81 0.00 0.00 175.30 175.79 2f05 s PRO 49 N -2.07 2.29 0.00 5.12 0.04 -1.26 -4.74 135.00 134.38 2f05 s PRO 49 Ca -0.08 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2f05 s PRO 49 Cb -0.02 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.98 2f05 s PRO 49 CO -0.00 -3.06 0.00 0.34 0.04 0.00 0.00 177.00 174.31 2f05 n PHE 50 N 15.08 0.00 -2.46 0.56 7.35 -1.26 -5.08 117.46 131.65 2f05 n PHE 50 Ca 0.35 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.63 2f05 n PHE 50 Cb 0.53 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.33 2f05 n PHE 50 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 2f05 s ARG 51 N -2.00 3.12 0.09 -4.13 6.06 -1.26 -4.90 118.95 115.93 2f05 s ARG 51 Ca 0.00 -0.04 0.03 0.00 -2.50 0.00 0.00 55.73 53.21 2f05 s ARG 51 Cb 0.00 -4.20 -0.04 0.00 0.06 0.00 0.00 34.95 30.77 2f05 s ARG 51 CO 0.00 -2.21 -0.08 0.20 -2.50 0.00 0.00 175.30 170.71 2f05 s GLY 52 N 4.43 0.76 -0.44 8.12 0.00 -1.26 -5.07 107.32 113.87 2f05 s GLY 52 Ca 0.41 -1.22 -0.27 0.00 0.00 0.00 0.00 44.72 43.65 2f05 s GLY 52 CO 0.17 -1.31 2.26 -0.29 0.00 0.00 0.00 173.10 173.93 2f05 s MET 53 N -3.17 2.47 0.40 2.90 1.75 -1.26 -4.93 119.30 117.46 2f05 s MET 53 Ca 0.07 1.45 -0.21 0.00 -1.25 0.00 0.00 55.69 55.74 2f05 s MET 53 Cb 0.00 -4.49 -0.11 0.00 2.84 0.00 0.00 34.83 33.08 2f05 s MET 53 CO -0.02 -2.86 0.93 -1.12 -0.65 0.00 0.00 175.02 171.29 2f05 s SER 54 N 10.43 6.99 0.53 1.11 0.01 -1.26 -4.92 113.70 126.59 2f05 s SER 54 Ca 0.93 1.67 0.29 0.00 1.31 0.00 0.00 55.95 60.15 2f05 s SER 54 Cb -0.20 -2.53 1.48 0.00 0.21 0.00 0.00 66.02 64.97 2f05 s SER 54 CO 0.28 -0.29 2.07 1.05 0.41 0.00 0.00 173.24 176.76 2f05 h GLU 55 N 2.18 0.00 -0.24 12.44 9.09 -1.98 -0.38 114.58 135.69 2f05 h GLU 55 Ca -0.49 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 58.79 2f05 h GLU 55 Cb 1.18 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.27 2f05 h GLU 55 CO 0.62 0.11 -0.41 1.49 0.05 0.00 0.00 179.01 180.87 2f05 h GLU 56 N 0.00 0.57 0.00 1.06 4.81 -1.97 0.31 114.58 119.37 2f05 h GLU 56 Ca -0.00 -0.29 -0.13 0.00 -0.13 0.00 0.00 59.36 58.80 2f05 h GLU 56 Cb 0.34 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2f05 h GLU 56 CO 0.01 0.88 -0.62 1.05 -0.73 0.00 0.00 179.01 179.61 2f05 h GLU 57 N 0.47 0.00 0.35 1.92 4.11 -1.51 -2.12 114.58 117.80 2f05 h GLU 57 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.45 2f05 h GLU 57 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2f05 h GLU 57 CO 0.08 0.62 -0.17 0.28 0.07 0.00 0.00 179.01 179.89 2f05 h VAL 58 N 0.00 0.66 -0.40 -1.06 2.07 -0.95 -3.00 116.25 113.58 2f05 h VAL 58 Ca -0.01 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.24 2f05 h VAL 58 Cb 1.41 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2f05 h VAL 58 CO 0.08 0.07 0.27 0.15 0.02 0.00 0.00 177.57 178.16 2f05 h PHE 59 N -0.66 0.28 0.16 1.57 3.57 -0.25 -2.06 116.94 119.54 2f05 h PHE 59 Ca -0.05 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.47 2f05 h PHE 59 Cb 0.47 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2f05 h PHE 59 CO -0.01 0.15 -0.19 1.15 -2.23 0.00 0.00 178.31 177.18 2f05 h THR 60 N 0.28 0.57 -0.02 4.41 2.02 -1.24 0.42 112.91 119.35 2f05 h THR 60 Ca 0.18 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.20 2f05 h THR 60 Cb 0.35 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2f05 h THR 60 CO -0.04 0.00 -0.71 -0.33 0.37 0.00 0.00 175.52 174.81 2f05 h GLU 61 N -0.40 0.13 -0.23 6.66 5.08 -1.35 0.02 114.58 124.49 2f05 h GLU 61 Ca 0.01 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 2f05 h GLU 61 Cb 0.39 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2f05 h GLU 61 CO -0.07 0.79 -0.30 0.28 -1.00 0.00 0.00 179.01 178.70 2f05 h VAL 62 N 0.09 1.32 -0.38 3.13 2.07 -1.27 0.12 116.25 121.33 2f05 h VAL 62 Ca -0.02 -1.49 -0.10 0.00 0.82 0.00 0.00 66.70 65.91 2f05 h VAL 62 Cb 1.27 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 2f05 h VAL 62 CO 0.10 0.47 -0.17 0.00 0.02 0.00 0.00 177.57 177.99 2f05 h ALA 63 N 0.65 1.00 0.00 1.67 0.00 -0.02 -0.98 119.26 121.58 2f05 h ALA 63 Ca 0.03 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 2f05 h ALA 63 Cb 0.88 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2f05 h ALA 63 CO 0.07 0.59 -0.28 -0.97 0.00 0.00 0.00 179.25 178.66 2f05 h ASN 64 N 0.63 0.00 -0.03 0.00 -1.24 -0.88 -1.61 115.58 112.45 2f05 h ASN 64 Ca 0.10 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.04 2f05 h ASN 64 Cb 0.64 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.69 2f05 h ASN 64 CO 0.04 0.28 -0.26 0.25 -1.29 0.00 0.00 177.43 176.46 2f05 h LEU 65 N 0.00 0.28 -3.96 0.34 7.12 0.18 -3.31 115.31 115.96 2f05 h LEU 65 Ca -0.00 -0.71 -0.65 0.00 0.13 0.00 0.00 57.88 56.65 2f05 h LEU 65 Cb 0.52 -0.08 -0.32 0.00 -0.53 0.00 0.00 40.66 40.25 2f05 h LEU 65 CO 0.04 0.94 0.50 0.49 -0.13 0.00 0.00 178.44 180.28 2f05 n PHE 66 N -4.50 3.13 -1.54 1.25 3.72 -0.46 -4.99 117.46 114.07 2f05 n PHE 66 Ca -0.09 -2.85 -0.43 0.00 -0.05 0.00 0.00 57.45 54.03 2f05 n PHE 66 Cb 0.49 -1.20 -0.05 0.00 -0.94 0.00 0.00 39.48 37.78 2f05 n PHE 66 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2f05 n ARG 67 N -0.87 1.40 0.00 -1.08 5.12 -0.62 -0.56 116.66 120.06 2f05 n ARG 67 Ca 0.59 0.31 0.00 0.00 -1.93 0.00 0.00 57.85 56.81 2f05 n ARG 67 Cb 0.72 -3.01 0.00 0.00 -1.16 0.00 0.00 32.46 29.01 2f05 n ARG 67 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2f05 n GLY 68 N 6.07 0.92 3.33 -0.13 0.00 -1.26 -5.01 105.19 109.11 2f05 n GLY 68 Ca 0.36 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.95 2f05 n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2f05 n GLN 69 N -0.03 3.48 0.29 1.61 1.13 0.27 -4.79 117.38 119.34 2f05 n GLN 69 Ca 0.00 -3.90 0.17 0.00 -1.94 0.00 0.00 57.00 51.33 2f05 n GLN 69 Cb 0.00 -2.94 0.89 0.00 0.11 0.00 0.00 30.24 28.30 2f05 n GLN 69 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2f05 h GLU 70 N 6.76 0.00 -0.33 -1.09 5.08 -1.95 -2.58 114.58 120.47 2f05 h GLU 70 Ca 0.31 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.71 2f05 h GLU 70 Cb 0.82 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 2f05 h GLU 70 CO 1.29 0.05 0.09 -0.44 -1.00 0.00 0.00 179.01 179.00 2f05 h ASP 71 N 0.00 0.07 0.14 1.42 5.19 -1.95 0.72 116.42 122.02 2f05 h ASP 71 Ca -0.00 0.04 -0.19 0.00 -0.62 0.00 0.00 57.03 56.26 2f05 h ASP 71 Cb 0.22 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 2f05 h ASP 71 CO 0.01 0.08 -0.73 -0.07 -3.12 0.00 0.00 179.24 175.40 2f05 h LEU 72 N 0.22 0.60 -0.43 1.55 3.38 -1.85 -2.77 115.31 116.01 2f05 h LEU 72 Ca 0.15 -0.39 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 2f05 h LEU 72 Cb 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2f05 h LEU 72 CO -0.17 1.14 -0.27 -0.07 0.09 0.00 0.00 178.44 179.16 2f05 h LEU 73 N 0.35 0.99 -0.76 1.67 3.38 -1.29 -0.65 115.31 119.01 2f05 h LEU 73 Ca -0.03 -0.42 -0.12 0.00 0.09 0.00 0.00 57.88 57.39 2f05 h LEU 73 Cb 1.31 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2f05 h LEU 73 CO 0.13 1.20 -0.39 0.28 0.09 0.00 0.00 178.44 179.76 2f05 h SER 74 N 0.79 0.51 -0.16 -0.43 0.02 -0.89 -1.77 113.55 111.62 2f05 h SER 74 Ca 0.09 -0.22 -0.18 0.00 -0.84 0.00 0.00 61.79 60.64 2f05 h SER 74 Cb 0.86 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 2f05 h SER 74 CO 0.08 0.85 -0.55 -0.33 -1.14 0.00 0.00 176.83 175.74 2f05 h GLU 75 N 0.41 0.74 0.01 3.45 4.39 -1.15 -2.61 114.58 119.82 2f05 h GLU 75 Ca 0.04 -0.47 -0.00 0.00 0.34 0.00 0.00 59.36 59.27 2f05 h GLU 75 Cb 0.86 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2f05 h GLU 75 CO 0.07 1.09 -0.01 0.35 -1.16 0.00 0.00 179.01 179.36 2f05 h PHE 76 N 0.57 -0.02 -0.51 4.33 3.57 -0.94 0.91 116.94 124.86 2f05 h PHE 76 Ca 0.01 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2f05 h PHE 76 Cb 1.13 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 2f05 h PHE 76 CO 0.06 -0.00 0.28 0.78 -2.23 0.00 0.00 178.31 177.20 2f05 h GLY 77 N -0.02 0.74 1.44 2.40 0.00 -1.33 -1.15 103.07 105.15 2f05 h GLY 77 Ca -0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 47.33 46.75 2f05 h GLY 77 CO 0.00 0.30 -1.12 1.46 0.00 0.00 0.00 176.54 177.19 2f05 h GLN 78 N 0.70 0.47 -0.13 4.80 4.20 -1.15 -3.28 115.11 120.73 2f05 h GLN 78 Ca 0.18 -0.60 -0.22 0.00 0.06 0.00 0.00 58.65 58.07 2f05 h GLN 78 Cb 0.02 0.19 0.01 0.00 0.30 0.00 0.00 27.48 28.00 2f05 h GLN 78 CO -0.03 1.24 -0.77 0.35 -0.67 0.00 0.00 178.83 178.95 2f05 h PHE 79 N 0.22 0.94 -4.02 2.96 3.57 -0.48 -3.46 116.94 116.67 2f05 h PHE 79 Ca -0.13 -0.42 -0.54 0.00 3.53 0.00 0.00 57.97 60.41 2f05 h PHE 79 Cb 1.79 -0.14 0.12 0.00 2.79 0.00 0.00 35.95 40.50 2f05 h PHE 79 CO 0.08 1.23 0.62 -0.51 -2.23 0.00 0.00 178.31 177.50 2f05 s LEU 80 N -8.29 3.95 -0.55 0.59 1.43 -0.46 -4.85 118.68 110.49 2f05 s LEU 80 Ca -0.09 2.74 -0.27 0.00 -1.03 0.00 0.00 54.13 55.48 2f05 s LEU 80 Cb 0.09 -4.17 -0.09 0.00 0.03 0.00 0.00 46.19 42.05 2f05 s LEU 80 CO 0.89 -1.36 2.45 -0.81 0.23 0.00 0.00 176.35 177.75 2f05 n PRO 81 N -0.70 0.92 -2.32 1.29 -0.04 -1.26 -2.84 135.00 130.05 2f05 n PRO 81 Ca 0.08 0.02 -0.21 0.00 -0.04 0.00 0.00 63.50 63.36 2f05 n PRO 81 Cb 0.44 -3.13 -0.02 0.00 -0.04 0.00 0.00 33.50 30.76 2f05 n PRO 81 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2f05 n GLU 82 N 8.90 -1.65 0.18 0.54 1.02 -1.26 -4.85 120.64 123.52 2f05 n GLU 82 Ca 0.41 1.04 0.14 0.00 -0.02 0.00 0.00 57.16 58.73 2f05 n GLU 82 Cb 0.46 -5.68 0.50 0.00 -0.02 0.00 0.00 31.44 26.70 2f05 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f05 h ALA 83 N 0.89 1.00 0.00 0.62 0.00 -1.69 -1.37 119.26 118.71 2f05 h ALA 83 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2f05 h ALA 83 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2f05 h ALA 83 CO 0.59 0.00 -0.19 1.57 0.00 0.00 0.00 179.25 181.22 2f05 h LYS 84 N 0.00 0.00 -0.02 0.00 2.10 -1.82 -3.48 116.57 113.34 2f05 h LYS 84 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2f05 h LYS 84 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2f05 h LYS 84 CO 0.00 0.00 0.00 -2.13 -2.00 0.00 0.00 179.45 175.32