#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1v h THR 10 N 0.00 0.17 0.00 -0.44 1.03 -2.06 -0.17 112.91 111.44 1r1v h THR 10 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1r1v h THR 10 Cb 0.00 0.17 0.00 0.00 -1.07 0.00 0.00 68.15 67.25 1r1v h THR 10 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 175.52 175.95 1r1v h ASP 11 N -0.24 0.00 -0.50 0.00 5.19 -2.05 -2.55 116.42 116.27 1r1v h ASP 11 Ca 0.19 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.53 1r1v h ASP 11 Cb 0.56 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 1r1v h ASP 11 CO -0.61 0.00 0.10 0.74 -3.12 0.00 0.00 179.24 176.35 1r1v h THR 12 N 0.00 1.24 0.00 0.35 2.02 -1.50 0.30 112.91 115.32 1r1v h THR 12 Ca 0.00 -0.90 -0.15 0.00 0.77 0.00 0.00 66.41 66.13 1r1v h THR 12 Cb 0.71 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1r1v h THR 12 CO 0.00 0.33 -0.72 -0.07 0.37 0.00 0.00 175.52 175.43 1r1v h LEU 13 N 0.83 0.00 -0.34 2.58 3.38 -0.96 -2.09 115.31 118.71 1r1v h LEU 13 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1r1v h LEU 13 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1r1v h LEU 13 CO 0.01 0.72 -0.09 -0.33 0.09 0.00 0.00 178.44 178.84 1r1v h GLU 14 N 0.00 0.65 -0.80 1.13 4.39 -0.98 0.45 114.58 119.42 1r1v h GLU 14 Ca -0.01 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.40 1r1v h GLU 14 Cb 1.31 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.89 1r1v h GLU 14 CO 0.09 0.83 0.34 0.00 -1.16 0.00 0.00 179.01 179.11 1r1v h ARG 15 N 0.44 1.17 -0.10 2.33 3.08 -0.88 -1.90 114.38 118.52 1r1v h ARG 15 Ca 0.08 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.84 1r1v h ARG 15 Cb 0.59 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1r1v h ARG 15 CO 0.03 0.93 -0.37 0.28 -1.07 0.00 0.00 179.97 179.78 1r1v h VAL 16 N 1.15 1.29 -0.39 2.04 2.07 -1.14 -1.77 116.25 119.50 1r1v h VAL 16 Ca 0.27 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1r1v h VAL 16 Cb 0.18 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1r1v h VAL 16 CO -0.03 0.42 0.20 0.74 0.02 0.00 0.00 177.57 178.92 1r1v h THR 17 N 0.18 1.17 -0.46 2.57 2.02 -0.17 -1.90 112.91 116.32 1r1v h THR 17 Ca 0.02 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 1r1v h THR 17 Cb 0.75 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1r1v h THR 17 CO 0.06 0.18 0.09 -0.33 0.37 0.00 0.00 175.52 175.89 1r1v h GLU 18 N 0.50 0.70 0.09 6.66 4.39 -1.00 0.25 114.58 126.17 1r1v h GLU 18 Ca 0.14 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1r1v h GLU 18 Cb 0.10 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1r1v h GLU 18 CO -0.02 0.66 -0.04 0.82 -1.16 0.00 0.00 179.01 179.26 1r1v h ILE 19 N 0.68 0.92 0.00 3.13 2.04 -0.85 0.21 117.51 123.64 1r1v h ILE 19 Ca 0.15 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 1r1v h ILE 19 Cb 0.28 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1r1v h ILE 19 CO 0.00 0.01 -0.23 -0.26 0.00 0.00 0.00 178.15 177.67 1r1v h PHE 20 N -0.14 0.00 -0.42 1.37 0.04 -1.10 -2.44 116.94 114.25 1r1v h PHE 20 Ca -0.01 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1r1v h PHE 20 Cb 0.11 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 1r1v h PHE 20 CO -0.07 0.23 0.00 -0.22 -0.60 0.00 0.00 178.31 177.66 1r1v h LYS 21 N 0.00 0.74 -0.12 1.51 1.63 -0.44 -2.07 116.57 117.83 1r1v h LYS 21 Ca -0.00 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 59.51 1r1v h LYS 21 Cb 0.75 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 1r1v h LYS 21 CO 0.03 0.82 -0.18 0.00 -3.45 0.00 0.00 179.45 176.67 1r1v h ALA 22 N 0.90 1.49 -0.00 5.00 0.00 -0.51 -2.83 119.26 123.30 1r1v h ALA 22 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1r1v h ALA 22 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1r1v h ALA 22 CO 0.02 0.37 -0.32 1.28 0.00 0.00 0.00 179.25 180.59 1r1v n LEU 23 N -4.24 0.57 -3.38 0.00 4.77 -1.01 -4.48 117.00 109.23 1r1v n LEU 23 Ca -0.01 -0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.57 1r1v n LEU 23 Cb 0.29 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1r1v n LEU 23 CO 0.38 0.12 3.15 0.61 -1.33 0.00 0.00 177.39 180.32 1r1v n GLY 24 N 1.43 4.46 3.48 -0.72 0.00 -0.80 -4.65 105.19 108.38 1r1v n GLY 24 Ca 0.09 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 1r1v n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r1v s ASP 25 N 1.88 -0.71 0.11 1.61 2.15 -1.26 -5.06 116.67 115.39 1r1v s ASP 25 Ca 0.65 1.23 -0.25 0.00 0.43 0.00 0.00 52.55 54.61 1r1v s ASP 25 Cb 0.18 1.14 -0.08 0.00 -0.30 0.00 0.00 42.92 43.86 1r1v s ASP 25 CO -0.07 -0.21 1.67 0.22 -0.17 0.00 0.00 175.17 176.61 1r1v h TYR 26 N 6.47 -0.44 -0.19 -5.34 3.20 -1.98 -1.63 116.97 117.06 1r1v h TYR 26 Ca -0.31 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.44 1r1v h TYR 26 Cb 1.20 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 1r1v h TYR 26 CO 0.22 -0.25 -0.41 -0.91 -1.64 0.00 0.00 178.16 175.17 1r1v h ASN 27 N -0.30 0.47 -0.07 -2.11 2.35 -1.98 -1.76 115.58 112.19 1r1v h ASN 27 Ca 0.04 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.48 1r1v h ASN 27 Cb 0.34 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1r1v h ASN 27 CO -0.13 0.83 -0.26 0.03 -1.65 0.00 0.00 177.43 176.26 1r1v h ARG 28 N 0.37 0.50 -0.33 0.81 3.08 -1.89 -1.47 114.38 115.46 1r1v h ARG 28 Ca 0.03 -0.19 -0.17 0.00 0.07 0.00 0.00 59.98 59.72 1r1v h ARG 28 Cb 0.88 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 1r1v h ARG 28 CO 0.07 0.72 -0.46 0.82 -1.07 0.00 0.00 179.97 180.05 1r1v h ILE 29 N 0.44 1.27 -0.93 2.04 2.04 -1.09 -0.64 117.51 120.65 1r1v h ILE 29 Ca 0.06 -1.64 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 1r1v h ILE 29 Cb 0.68 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 1r1v h ILE 29 CO 0.05 0.54 0.54 0.03 0.00 0.00 0.00 178.15 179.32 1r1v h ARG 30 N 0.70 1.27 -0.32 2.37 3.08 -1.08 0.27 114.38 120.67 1r1v h ARG 30 Ca 0.04 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1r1v h ARG 30 Cb 1.07 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1r1v h ARG 30 CO 0.11 0.90 0.07 0.82 -1.07 0.00 0.00 179.97 180.80 1r1v h ILE 31 N 1.29 1.23 -0.74 2.04 2.04 -1.03 -0.46 117.51 121.87 1r1v h ILE 31 Ca 0.33 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1r1v h ILE 31 Cb -0.03 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1r1v h ILE 31 CO -0.06 0.26 0.41 0.24 0.00 0.00 0.00 178.15 179.00 1r1v h MET 32 N 0.36 1.02 -0.54 2.37 2.86 -0.67 -0.76 114.93 119.57 1r1v h MET 32 Ca 0.10 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1r1v h MET 32 Cb 0.32 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1r1v h MET 32 CO 0.00 0.75 0.34 1.49 1.06 0.00 0.00 176.91 180.55 1r1v h GLU 33 N 1.02 0.66 -0.33 1.72 4.57 -0.21 -0.46 114.58 121.54 1r1v h GLU 33 Ca 0.26 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1r1v h GLU 33 Cb 0.02 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 1r1v h GLU 33 CO -0.04 0.44 0.13 1.25 -1.18 0.00 0.00 179.01 179.60 1r1v h LEU 34 N 0.68 0.47 -1.83 1.64 6.46 -0.53 -2.40 115.31 119.80 1r1v h LEU 34 Ca 0.21 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1r1v h LEU 34 Cb -0.02 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 1r1v h LEU 34 CO -0.08 0.52 0.06 -0.07 -0.62 0.00 0.00 178.44 178.25 1r1v h LEU 35 N 0.39 0.14 -1.90 2.25 4.07 -0.75 -1.18 115.31 118.32 1r1v h LEU 35 Ca 0.11 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.04 1r1v h LEU 35 Cb 0.20 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.90 1r1v h LEU 35 CO -0.01 0.13 -0.12 0.77 -1.08 0.00 0.00 178.44 178.13 1r1v h SER 36 N 0.17 0.00 0.07 -0.43 4.64 -0.56 -2.74 113.55 114.70 1r1v h SER 36 Ca 0.04 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.25 1r1v h SER 36 Cb 0.02 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1r1v h SER 36 CO -0.01 0.12 -0.47 0.58 -0.87 0.00 0.00 176.83 176.19 1r1v h VAL 37 N 0.00 1.60 -1.54 0.95 2.07 -1.17 -3.48 116.25 114.67 1r1v h VAL 37 Ca -0.00 -2.35 0.08 0.00 0.82 0.00 0.00 66.70 65.25 1r1v h VAL 37 Cb 0.32 3.14 -0.24 0.00 -1.52 0.00 0.00 31.29 32.99 1r1v h VAL 37 CO 0.02 0.65 0.54 -0.94 0.02 0.00 0.00 177.57 177.86 1r1v s SER 38 N -6.63 -0.37 0.93 0.57 1.04 -1.03 -5.16 113.70 103.06 1r1v s SER 38 Ca -0.15 0.50 -0.11 0.00 0.48 0.00 0.00 55.95 56.66 1r1v s SER 38 Cb -0.00 0.43 0.10 0.00 0.10 0.00 0.00 66.02 66.64 1r1v s SER 38 CO 0.78 -0.28 0.80 -1.84 0.98 0.00 0.00 173.24 173.68 1r1v n GLU 39 N 1.11 -0.38 -3.60 4.02 0.28 -1.26 -4.26 120.64 116.55 1r1v n GLU 39 Ca -0.10 -0.06 -0.06 0.00 -0.16 0.00 0.00 57.16 56.77 1r1v n GLU 39 Cb 0.57 -2.13 -0.02 0.00 1.43 0.00 0.00 31.44 31.29 1r1v n GLU 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1r1v s ALA 40 N -2.52 -1.76 0.53 -1.84 0.00 -0.51 -4.95 121.76 110.71 1r1v s ALA 40 Ca 0.62 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 1r1v s ALA 40 Cb -0.22 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.42 1r1v s ALA 40 CO 0.62 -0.83 0.78 -1.54 0.00 0.00 0.00 175.76 174.79 1r1v s SER 41 N -2.67 5.55 0.44 0.00 1.04 -1.26 -0.62 113.70 116.18 1r1v s SER 41 Ca 0.08 0.32 0.12 0.00 0.48 0.00 0.00 55.95 56.95 1r1v s SER 41 Cb -0.01 -1.37 1.01 0.00 0.10 0.00 0.00 66.02 65.75 1r1v s SER 41 CO -0.05 -0.97 2.02 0.58 0.98 0.00 0.00 173.24 175.80 1r1v h VAL 42 N 0.10 0.97 -0.09 5.02 2.07 -1.98 -1.99 116.25 120.34 1r1v h VAL 42 Ca -0.45 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1r1v h VAL 42 Cb 1.27 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1r1v h VAL 42 CO 0.57 0.07 -0.05 1.23 0.02 0.00 0.00 177.57 179.41 1r1v h GLY 43 N 0.40 0.21 1.24 2.17 0.00 -1.95 -2.02 103.07 103.12 1r1v h GLY 43 Ca 0.21 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 1r1v h GLY 43 CO -0.05 0.18 -0.05 0.84 0.00 0.00 0.00 176.54 177.45 1r1v h HIS 44 N -0.18 0.99 0.25 5.60 6.17 -1.88 -1.44 115.15 124.66 1r1v h HIS 44 Ca 0.02 -0.17 -0.01 0.00 0.71 0.00 0.00 60.37 60.91 1r1v h HIS 44 Cb 0.51 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 30.18 1r1v h HIS 44 CO 0.07 0.92 -0.12 0.82 0.71 0.00 0.00 177.93 180.33 1r1v h ILE 45 N 0.83 0.78 -0.74 6.26 2.04 -1.40 -0.84 117.51 124.44 1r1v h ILE 45 Ca 0.14 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1r1v h ILE 45 Cb 0.57 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 37.43 1r1v h ILE 45 CO 0.03 0.03 0.32 -1.28 0.00 0.00 0.00 178.15 177.26 1r1v h SER 46 N -0.41 0.35 -0.17 1.72 0.87 -1.21 -0.95 113.55 113.75 1r1v h SER 46 Ca -0.03 0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.50 1r1v h SER 46 Cb 0.31 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1r1v h SER 46 CO 0.06 0.16 -0.36 -0.74 -0.53 0.00 0.00 176.83 175.42 1r1v h HIS 47 N 0.50 0.68 -0.17 2.24 -0.00 -1.13 -0.29 115.15 116.99 1r1v h HIS 47 Ca 0.39 -0.25 -0.13 0.00 -0.00 0.00 0.00 60.37 60.37 1r1v h HIS 47 Cb 0.54 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 1r1v h HIS 47 CO -0.14 0.99 -0.47 0.37 -0.00 0.00 0.00 177.93 178.68 1r1v h GLN 48 N 0.18 0.43 -0.00 5.26 5.75 -0.89 -3.19 115.11 122.65 1r1v h GLN 48 Ca 0.00 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 1r1v h GLN 48 Cb 0.96 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.52 1r1v h GLN 48 CO 0.08 0.81 -0.68 1.28 -2.65 0.00 0.00 178.83 177.67 1r1v n LEU 49 N -3.99 0.84 -2.74 -2.39 4.77 -0.38 -4.99 117.00 108.12 1r1v n LEU 49 Ca -0.02 -0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 55.58 1r1v n LEU 49 Cb 0.54 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1r1v n LEU 49 CO 0.45 0.20 0.03 0.59 -1.33 0.00 0.00 177.39 177.32 1r1v n ASN 50 N -1.33 -4.69 -3.95 -1.43 4.13 -0.40 -5.06 115.26 102.54 1r1v n ASN 50 Ca 0.06 -0.49 -0.12 0.00 1.68 0.00 0.00 54.58 55.70 1r1v n ASN 50 Cb 0.34 -3.85 -0.13 0.00 -1.54 0.00 0.00 39.78 34.61 1r1v n ASN 50 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1r1v s LEU 51 N -4.78 2.11 0.54 3.41 1.43 -0.25 -5.05 118.68 116.08 1r1v s LEU 51 Ca 0.26 -0.25 -0.22 0.00 -1.03 0.00 0.00 54.13 52.90 1r1v s LEU 51 Cb -0.03 -0.04 -0.05 0.00 0.03 0.00 0.00 46.19 46.10 1r1v s LEU 51 CO 0.53 -0.11 1.34 -0.94 0.23 0.00 0.00 176.35 177.39 1r1v s SER 52 N -0.69 5.36 0.35 2.29 1.04 -1.26 -4.47 113.70 116.32 1r1v s SER 52 Ca -0.06 2.72 0.03 0.00 0.48 0.00 0.00 55.95 59.12 1r1v s SER 52 Cb -0.05 -2.63 0.66 0.00 0.10 0.00 0.00 66.02 64.10 1r1v s SER 52 CO -0.00 -1.51 1.99 1.56 0.98 0.00 0.00 173.24 176.26 1r1v h GLN 53 N 1.52 0.81 -0.16 4.02 4.20 -1.91 -1.40 115.11 122.19 1r1v h GLN 53 Ca -0.51 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.15 1r1v h GLN 53 Cb 1.29 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 1r1v h GLN 53 CO 0.58 0.54 0.09 1.03 -0.67 0.00 0.00 178.83 180.39 1r1v h SER 54 N 0.84 0.20 -0.26 1.46 0.87 -1.96 0.31 113.55 115.01 1r1v h SER 54 Ca 0.27 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1r1v h SER 54 Cb 0.05 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1r1v h SER 54 CO -0.08 0.22 0.17 -1.13 -0.53 0.00 0.00 176.83 175.49 1r1v h ASN 55 N 0.16 0.30 -0.57 6.23 -0.00 -1.80 -1.82 115.58 118.08 1r1v h ASN 55 Ca 0.06 -0.01 0.07 0.00 -0.00 0.00 0.00 56.30 56.42 1r1v h ASN 55 Cb 0.06 -0.07 -0.06 0.00 -0.00 0.00 0.00 38.32 38.25 1r1v h ASN 55 CO -0.01 0.22 0.24 0.58 -0.00 0.00 0.00 177.43 178.46 1r1v h VAL 56 N 0.35 0.84 -0.47 2.57 2.07 -0.90 -0.57 116.25 120.15 1r1v h VAL 56 Ca 0.10 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1r1v h VAL 56 Cb -0.04 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1r1v h VAL 56 CO -0.02 0.08 0.25 0.28 0.02 0.00 0.00 177.57 178.18 1r1v h SER 57 N 0.44 0.59 -0.57 0.57 0.02 -0.66 -0.45 113.55 113.49 1r1v h SER 57 Ca 0.27 -0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 1r1v h SER 57 Cb 0.28 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1r1v h SER 57 CO -0.25 0.52 0.33 -0.74 -1.14 0.00 0.00 176.83 175.54 1r1v h HIS 58 N 0.61 0.60 -0.25 3.45 6.17 -0.76 -0.85 115.15 124.12 1r1v h HIS 58 Ca 0.16 0.02 -0.14 0.00 0.71 0.00 0.00 60.37 61.12 1r1v h HIS 58 Cb 0.07 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 29.80 1r1v h HIS 58 CO -0.02 0.32 -0.43 1.96 0.71 0.00 0.00 177.93 180.48 1r1v h GLN 59 N 0.63 0.63 -0.12 5.26 1.08 -0.78 -2.95 115.11 118.86 1r1v h GLN 59 Ca 0.24 -0.34 -0.09 0.00 -1.45 0.00 0.00 58.65 57.02 1r1v h GLN 59 Cb 0.08 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1r1v h GLN 59 CO -0.13 0.94 -0.31 -0.07 -0.95 0.00 0.00 178.83 178.31 1r1v h LEU 60 N 0.51 0.23 -0.65 1.46 3.38 -0.70 -0.39 115.31 119.15 1r1v h LEU 60 Ca 0.04 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1r1v h LEU 60 Cb 0.96 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1r1v h LEU 60 CO 0.09 0.54 0.21 0.50 0.09 0.00 0.00 178.44 179.87 1r1v h LYS 61 N 0.20 1.00 0.21 1.13 3.64 -1.00 0.83 116.57 122.59 1r1v h LYS 61 Ca 0.03 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1r1v h LYS 61 Cb 0.66 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1r1v h LYS 61 CO 0.05 0.87 -0.10 1.25 -2.27 0.00 0.00 179.45 179.25 1r1v h LEU 62 N 0.93 -0.24 -1.79 5.20 5.85 -1.32 -1.63 115.31 122.30 1r1v h LEU 62 Ca 0.21 -0.27 0.19 0.00 0.84 0.00 0.00 57.88 58.85 1r1v h LEU 62 Cb 0.28 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1r1v h LEU 62 CO -0.01 0.20 0.52 -0.07 -0.34 0.00 0.00 178.44 178.74 1r1v h LEU 63 N -0.75 0.18 0.11 2.25 3.38 -0.99 -1.36 115.31 118.15 1r1v h LEU 63 Ca -0.03 0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.68 1r1v h LEU 63 Cb 0.50 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1r1v h LEU 63 CO 0.05 0.08 -1.25 0.50 0.09 0.00 0.00 178.44 177.91 1r1v h LYS 64 N 0.19 0.24 0.00 1.13 3.64 -0.76 0.38 116.57 121.39 1r1v h LYS 64 Ca 0.37 -0.42 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1r1v h LYS 64 Cb 1.18 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1r1v h LYS 64 CO -0.07 1.18 -0.08 0.66 -2.27 0.00 0.00 179.45 178.87 1r1v h SER 65 N 0.07 0.00 -0.65 4.20 4.64 -0.23 0.94 113.55 122.51 1r1v h SER 65 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1r1v h SER 65 Cb 1.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.05 1r1v h SER 65 CO 0.19 0.08 0.00 1.33 -0.87 0.00 0.00 176.83 177.57 1r1v n VAL 66 N -3.67 1.48 -3.10 0.95 0.24 -1.16 -4.95 118.33 108.13 1r1v n VAL 66 Ca -0.02 -1.13 -0.22 0.00 -2.04 0.00 0.00 64.34 60.93 1r1v n VAL 66 Cb 0.19 0.28 0.04 0.00 -1.47 0.00 0.00 33.84 32.89 1r1v n VAL 66 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1r1v n HIS 67 N 1.24 -2.07 0.05 6.34 -0.00 0.32 -4.90 115.22 116.20 1r1v n HIS 67 Ca 0.24 0.60 -0.01 0.00 -0.00 0.00 0.00 57.72 58.55 1r1v n HIS 67 Cb 0.76 -4.50 -0.07 0.00 -0.00 0.00 0.00 29.99 26.18 1r1v n HIS 67 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1r1v h LEU 68 N -1.59 0.00 -8.41 2.41 3.38 -0.43 -3.42 115.31 107.24 1r1v h LEU 68 Ca -0.52 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.27 1r1v h LEU 68 Cb 1.36 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.96 1r1v h LEU 68 CO 0.55 0.62 -0.64 0.68 0.09 0.00 0.00 178.44 179.74 1r1v s VAL 69 N -2.89 0.11 0.05 1.22 -7.23 -1.16 -1.78 120.40 108.71 1r1v s VAL 69 Ca -0.01 -1.90 -0.03 0.00 -1.81 0.00 0.00 61.98 58.23 1r1v s VAL 69 Cb 0.08 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 1r1v s VAL 69 CO 0.80 -0.49 0.03 -1.59 -0.31 0.00 0.00 175.10 173.54 1r1v s LYS 70 N -4.04 0.61 -0.01 4.82 -2.85 0.00 -4.49 119.74 113.79 1r1v s LYS 70 Ca 0.23 -1.03 0.03 0.00 -1.00 0.00 0.00 55.97 54.20 1r1v s LYS 70 Cb 0.07 0.23 -0.01 0.00 -2.06 0.00 0.00 37.83 36.06 1r1v s LYS 70 CO 0.01 -0.14 -0.10 0.00 0.10 0.00 0.00 175.35 175.23 1r1v s ALA 71 N -3.42 0.81 0.28 0.59 0.00 -1.26 -0.89 121.76 117.87 1r1v s ALA 71 Ca 0.02 -0.43 0.07 0.00 0.00 0.00 0.00 51.96 51.62 1r1v s ALA 71 Cb 0.04 -0.20 -0.06 0.00 0.00 0.00 0.00 23.12 22.90 1r1v s ALA 71 CO -0.08 0.20 -0.07 0.15 0.00 0.00 0.00 175.76 175.95 1r1v s LYS 72 N -0.26 1.56 -0.12 0.00 3.01 -0.45 -4.88 119.74 118.60 1r1v s LYS 72 Ca 0.04 -1.78 0.00 0.00 -1.01 0.00 0.00 55.97 53.22 1r1v s LYS 72 Cb -0.04 -1.21 0.12 0.00 -1.01 0.00 0.00 37.83 35.69 1r1v s LYS 72 CO -0.00 0.07 1.60 0.54 0.51 0.00 0.00 175.35 178.06 1r1v n ARG 73 N -0.58 1.32 -1.62 1.68 1.74 -1.26 -1.03 116.66 116.91 1r1v n ARG 73 Ca -0.06 -0.69 -0.44 0.00 -0.77 0.00 0.00 57.85 55.90 1r1v n ARG 73 Cb 0.63 -1.27 -0.03 0.00 -1.02 0.00 0.00 32.46 30.77 1r1v n ARG 73 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1r1v n GLN 74 N 0.55 2.30 0.00 5.56 1.13 -1.22 -3.79 117.38 121.91 1r1v n GLN 74 Ca 0.13 0.75 0.00 0.00 -1.94 0.00 0.00 57.00 55.95 1r1v n GLN 74 Cb 0.65 -3.05 0.00 0.00 0.11 0.00 0.00 30.24 27.94 1r1v n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r1v n GLY 75 N 5.20 1.91 0.00 1.08 0.00 -1.26 -3.99 105.19 108.13 1r1v n GLY 75 Ca 0.26 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1r1v n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r1v n GLN 76 N 0.00 0.00 0.00 1.61 0.00 -1.25 -5.14 117.38 112.61 1r1v n GLN 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1r1v n GLN 76 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1r1v n GLN 76 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1r1v n SER 77 N 0.00 0.85 -4.66 2.61 3.41 -1.26 -5.07 113.62 109.51 1r1v n SER 77 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 1r1v n SER 77 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1r1v n SER 77 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1r1v s MET 78 N 1.56 2.92 -0.12 4.33 -1.94 -1.26 -3.40 119.30 121.39 1r1v s MET 78 Ca 0.00 -0.45 0.02 0.00 -1.71 0.00 0.00 55.69 53.54 1r1v s MET 78 Cb 0.00 -2.74 0.01 0.00 2.01 0.00 0.00 34.83 34.11 1r1v s MET 78 CO 0.00 0.69 -0.17 0.42 -0.01 0.00 0.00 175.02 175.95 1r1v s ILE 79 N -0.89 1.67 0.08 2.53 -1.09 -0.19 -4.49 121.20 118.82 1r1v s ILE 79 Ca 0.14 -0.74 -0.04 0.00 -2.23 0.00 0.00 60.65 57.78 1r1v s ILE 79 Cb -0.11 -1.51 -0.05 0.00 -1.58 0.00 0.00 42.46 39.21 1r1v s ILE 79 CO 0.03 0.47 0.30 -0.31 -1.23 0.00 0.00 174.94 174.20 1r1v s TYR 80 N 1.00 3.51 0.13 3.97 2.02 0.21 -1.34 117.35 126.86 1r1v s TYR 80 Ca -0.05 0.47 -0.14 0.00 -0.37 0.00 0.00 57.07 56.98 1r1v s TYR 80 Cb -0.15 -1.93 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 1r1v s TYR 80 CO -0.03 0.53 0.36 -1.54 -1.57 0.00 0.00 175.55 173.30 1r1v s SER 81 N -2.27 -0.13 0.24 2.29 1.04 -0.07 -1.42 113.70 113.38 1r1v s SER 81 Ca 0.36 -0.49 -0.31 0.00 0.48 0.00 0.00 55.95 56.00 1r1v s SER 81 Cb -0.13 0.46 -0.11 0.00 0.10 0.00 0.00 66.02 66.34 1r1v s SER 81 CO 0.24 -0.86 1.56 -0.76 0.98 0.00 0.00 173.24 174.39 1r1v s LEU 82 N -2.85 4.37 0.17 2.42 1.43 -1.26 -0.82 118.68 122.14 1r1v s LEU 82 Ca 0.06 2.78 -0.26 0.00 -1.03 0.00 0.00 54.13 55.68 1r1v s LEU 82 Cb 0.02 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.66 1r1v s LEU 82 CO -0.09 -0.84 1.56 -0.78 0.23 0.00 0.00 176.35 176.44 1r1v h ASP 83 N 5.58 -1.58 -2.44 2.29 1.82 -1.60 -3.43 116.42 117.06 1r1v h ASP 83 Ca -0.45 0.26 -0.05 0.00 -0.39 0.00 0.00 57.03 56.39 1r1v h ASP 83 Cb 1.21 0.72 -0.00 0.00 0.68 0.00 0.00 39.33 41.94 1r1v h ASP 83 CO 0.84 -0.33 0.12 -0.90 -1.61 0.00 0.00 179.24 177.36 1r1v n ASP 84 N -5.40 -1.33 -0.25 2.28 3.85 -1.26 -4.88 116.55 109.56 1r1v n ASP 84 Ca 0.02 -2.05 0.16 0.00 -0.71 0.00 0.00 54.79 52.21 1r1v n ASP 84 Cb 0.34 2.26 0.46 0.00 -1.35 0.00 0.00 41.12 42.83 1r1v n ASP 84 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 1r1v h ILE 85 N 1.63 0.74 -0.78 2.12 6.09 -1.99 -1.70 117.51 123.61 1r1v h ILE 85 Ca -0.20 -0.18 -0.05 0.00 -1.37 0.00 0.00 64.86 63.06 1r1v h ILE 85 Cb 0.78 0.17 -0.03 0.00 0.47 0.00 0.00 36.82 38.21 1r1v h ILE 85 CO 0.26 0.09 0.30 0.45 -3.07 0.00 0.00 178.15 176.19 1r1v h HIS 86 N 0.52 1.21 -0.18 2.19 3.86 -1.99 0.43 115.15 121.18 1r1v h HIS 86 Ca 0.46 -0.10 -0.09 0.00 -1.16 0.00 0.00 60.37 59.48 1r1v h HIS 86 Cb 0.98 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 1r1v h HIS 86 CO -0.00 0.92 -0.25 0.28 0.86 0.00 0.00 177.93 179.73 1r1v h VAL 87 N 1.15 1.34 0.07 2.45 2.07 -1.72 -1.25 116.25 120.36 1r1v h VAL 87 Ca 0.26 -1.46 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1r1v h VAL 87 Cb 0.24 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1r1v h VAL 87 CO -0.02 0.44 -0.15 0.00 0.02 0.00 0.00 177.57 177.87 1r1v h ALA 88 N 0.61 -0.24 -0.44 1.67 0.00 -1.13 -0.49 119.26 119.24 1r1v h ALA 88 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r1v h ALA 88 Cb 0.82 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1r1v h ALA 88 CO 0.06 -0.66 0.27 1.15 0.00 0.00 0.00 179.25 180.06 1r1v h THR 89 N -0.29 1.14 -0.21 0.00 2.02 -0.95 -1.35 112.91 113.26 1r1v h THR 89 Ca 0.03 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 66.93 1r1v h THR 89 Cb 0.31 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1r1v h THR 89 CO -0.09 0.14 0.00 -0.03 0.37 0.00 0.00 175.52 175.91 1r1v h MET 90 N 0.59 0.07 0.11 6.66 -1.53 -1.00 -0.59 114.93 119.24 1r1v h MET 90 Ca 0.16 -0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.41 1r1v h MET 90 Cb -0.01 -0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.03 1r1v h MET 90 CO -0.03 0.04 -0.05 1.25 0.14 0.00 0.00 176.91 178.26 1r1v h LEU 91 N 0.07 -0.13 -1.14 3.39 5.85 -0.88 -2.64 115.31 119.84 1r1v h LEU 91 Ca 0.10 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1r1v h LEU 91 Cb 0.13 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1r1v h LEU 91 CO -0.17 0.09 0.02 0.11 -0.34 0.00 0.00 178.44 178.14 1r1v h LYS 92 N -0.34 0.62 -0.69 1.25 1.57 -1.19 -1.48 116.57 116.30 1r1v h LYS 92 Ca -0.02 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 1r1v h LYS 92 Cb 0.28 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1r1v h LYS 92 CO 0.03 0.63 0.14 1.96 -0.57 0.00 0.00 179.45 181.63 1r1v h GLN 93 N 0.59 1.12 -0.24 3.15 1.08 -1.07 -1.80 115.11 117.94 1r1v h GLN 93 Ca 0.12 -0.29 -0.08 0.00 -1.45 0.00 0.00 58.65 56.96 1r1v h GLN 93 Cb 0.35 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1r1v h GLN 93 CO 0.01 1.01 -0.18 0.00 -0.95 0.00 0.00 178.83 178.72 1r1v h ALA 94 N 1.08 0.34 -0.80 3.87 0.00 -1.10 -0.50 119.26 122.16 1r1v h ALA 94 Ca 0.21 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1r1v h ALA 94 Cb 0.41 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1r1v h ALA 94 CO 0.01 0.26 0.52 0.82 0.00 0.00 0.00 179.25 180.86 1r1v h ILE 95 N 0.25 1.18 -0.43 0.00 2.04 -1.22 -0.32 117.51 119.00 1r1v h ILE 95 Ca 0.05 -0.36 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 1r1v h ILE 95 Cb 0.71 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1r1v h ILE 95 CO 0.05 0.19 -0.21 -0.74 0.00 0.00 0.00 178.15 177.44 1r1v h HIS 96 N 1.05 0.96 -0.35 1.37 2.76 -1.24 -2.82 115.15 116.89 1r1v h HIS 96 Ca 0.30 -0.22 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1r1v h HIS 96 Cb -0.08 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.63 1r1v h HIS 96 CO -0.02 0.98 0.10 1.25 -1.30 0.00 0.00 177.93 178.94 1r1v h HIS 97 N 0.74 0.56 0.00 5.26 -0.00 -0.44 -1.64 115.15 119.64 1r1v h HIS 97 Ca 0.10 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1r1v h HIS 97 Cb 0.74 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 1r1v h HIS 97 CO 0.04 0.56 0.00 0.00 -0.00 0.00 0.00 177.93 178.53 1r1v n ALA 98 N -2.31 1.94 -0.09 5.26 0.00 -0.19 -3.60 120.51 121.51 1r1v n ALA 98 Ca -0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 1r1v n ALA 98 Cb 0.18 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.29 1r1v n ALA 98 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1r1v n ASN 99 N -1.19 2.17 -4.71 0.00 4.05 -0.74 -5.03 115.26 109.81 1r1v n ASN 99 Ca 0.09 0.02 -0.31 0.00 0.45 0.00 0.00 54.58 54.83 1r1v n ASN 99 Cb 0.10 -0.38 0.14 0.00 1.23 0.00 0.00 39.78 40.86 1r1v n ASN 99 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 177.26 172.83 1r1v s HIS 100 N -2.36 2.14 1.32 1.20 -3.43 -0.69 -5.01 115.29 108.45 1r1v s HIS 100 Ca -0.25 1.55 -0.18 0.00 -0.80 0.00 0.00 55.06 55.37 1r1v s HIS 100 Cb 0.08 -3.17 0.33 0.00 -1.43 0.00 0.00 32.58 28.39 1r1v s HIS 100 CO 0.39 -2.39 0.97 -2.14 -2.00 0.00 0.00 174.74 169.58 1r1v s PRO 101 N -4.80 -2.12 -0.07 -0.38 0.02 -1.26 -5.02 135.00 121.38 1r1v s PRO 101 Ca 0.64 0.42 -0.03 0.00 0.02 0.00 0.00 61.00 62.05 1r1v s PRO 101 Cb -0.20 -1.45 0.04 0.00 0.02 0.00 0.00 34.50 32.92 1r1v s PRO 101 CO 0.57 -4.41 0.15 0.15 -0.33 0.00 0.00 177.00 173.13 1r1v s LYS 102 N -4.80 0.09 0.00 5.54 1.02 -1.26 -5.08 119.74 115.25 1r1v s LYS 102 Ca 0.69 0.38 0.00 0.00 0.02 0.00 0.00 55.97 57.06 1r1v s LYS 102 Cb -0.18 -0.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.94 1r1v s LYS 102 CO 0.61 -0.17 0.00 0.39 -0.92 0.00 0.00 175.35 175.26 1r1v n GLU 103 N 4.27 0.00 -0.37 1.68 1.02 -1.26 -5.32 120.64 120.66 1r1v n GLU 103 Ca -0.26 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1r1v n GLU 103 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 1r1v n GLU 103 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74