#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1u n GLU 7 N 0.00 0.00 -2.61 -1.46 -0.58 -1.26 -5.06 120.64 109.67 1r1u n GLU 7 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 1r1u n GLU 7 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 1r1u n GLU 7 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1r1u s ILE 8 N 2.53 3.91 0.57 -3.67 1.10 -1.26 -4.95 121.20 119.43 1r1u s ILE 8 Ca 0.00 1.25 -0.18 0.00 -0.51 0.00 0.00 60.65 61.21 1r1u s ILE 8 Cb 0.00 -3.54 -0.04 0.00 0.15 0.00 0.00 42.46 39.02 1r1u s ILE 8 CO 0.00 -0.20 1.12 0.21 -2.11 0.00 0.00 174.94 173.97 1r1u s ASN 9 N -1.93 5.58 0.38 4.50 3.84 -1.26 -4.80 114.94 121.27 1r1u s ASN 9 Ca 0.64 2.13 0.14 0.00 0.21 0.00 0.00 52.86 55.98 1r1u s ASN 9 Cb -0.16 -2.57 0.78 0.00 -0.55 0.00 0.00 41.25 38.75 1r1u s ASN 9 CO 0.20 -1.31 1.84 0.00 -2.79 0.00 0.00 177.10 175.04 1r1u h THR 10 N 0.91 1.19 -0.23 -5.21 1.03 -2.00 -0.94 112.91 107.66 1r1u h THR 10 Ca -0.49 -1.22 -0.19 0.00 -0.01 0.00 0.00 66.41 64.50 1r1u h THR 10 Cb 1.26 1.67 0.00 0.00 -1.07 0.00 0.00 68.15 70.01 1r1u h THR 10 CO 0.56 0.34 -0.62 0.44 -0.01 0.00 0.00 175.52 176.24 1r1u h ASP 11 N 0.00 0.89 -0.86 0.00 3.32 -2.00 -2.86 116.42 114.92 1r1u h ASP 11 Ca -0.00 -0.51 0.01 0.00 0.02 0.00 0.00 57.03 56.55 1r1u h ASP 11 Cb 0.64 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 1r1u h ASP 11 CO 0.05 1.30 0.56 0.74 -1.72 0.00 0.00 179.24 180.16 1r1u h THR 12 N 0.58 1.20 -0.22 0.35 2.02 -1.56 -2.00 112.91 113.28 1r1u h THR 12 Ca -0.01 -0.39 -0.15 0.00 0.77 0.00 0.00 66.41 66.64 1r1u h THR 12 Cb 1.22 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1r1u h THR 12 CO 0.13 0.21 -0.47 -0.07 0.37 0.00 0.00 175.52 175.69 1r1u h LEU 13 N 1.14 0.61 -0.61 2.58 3.38 -1.30 -0.77 115.31 120.34 1r1u h LEU 13 Ca 0.32 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1r1u h LEU 13 Cb -0.10 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1r1u h LEU 13 CO -0.08 0.99 0.40 -0.33 0.09 0.00 0.00 178.44 179.51 1r1u h GLU 14 N 0.45 0.79 -0.50 1.13 4.39 -1.44 -0.44 114.58 118.96 1r1u h GLU 14 Ca 0.03 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 1r1u h GLU 14 Cb 0.99 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1r1u h GLU 14 CO 0.09 0.52 -0.18 0.00 -1.16 0.00 0.00 179.01 178.28 1r1u h ARG 15 N 0.81 1.02 -0.09 2.33 3.08 -0.97 0.46 114.38 121.02 1r1u h ARG 15 Ca 0.23 -0.42 -0.15 0.00 0.07 0.00 0.00 59.98 59.71 1r1u h ARG 15 Cb -0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1r1u h ARG 15 CO -0.06 1.10 -0.59 -0.39 -1.07 0.00 0.00 179.97 178.97 1r1u h VAL 16 N 0.88 1.37 -0.08 2.04 -1.51 -1.06 -1.24 116.25 116.65 1r1u h VAL 16 Ca 0.12 -1.93 0.03 0.00 -1.23 0.00 0.00 66.70 63.69 1r1u h VAL 16 Cb 0.76 1.95 -0.04 0.00 -2.13 0.00 0.00 31.29 31.84 1r1u h VAL 16 CO 0.06 0.57 -0.12 0.74 -1.23 0.00 0.00 177.57 177.60 1r1u h THR 17 N 0.21 0.68 -0.39 7.19 2.02 -0.87 -0.31 112.91 121.45 1r1u h THR 17 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1r1u h THR 17 Cb 1.09 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 68.12 1r1u h THR 17 CO 0.09 0.00 -0.02 -0.08 0.37 0.00 0.00 175.52 175.88 1r1u h GLU 18 N -0.16 0.07 -0.24 6.66 4.57 -0.68 -0.57 114.58 124.24 1r1u h GLU 18 Ca 0.07 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.31 1r1u h GLU 18 Cb 0.26 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.76 1r1u h GLU 18 CO -0.18 0.05 -0.22 0.82 -1.18 0.00 0.00 179.01 178.30 1r1u h ILE 19 N 0.08 0.43 -0.14 2.32 2.04 -0.98 -1.24 117.51 120.02 1r1u h ILE 19 Ca 0.19 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.84 1r1u h ILE 19 Cb 0.27 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1r1u h ILE 19 CO -0.34 0.00 -0.74 -0.26 0.00 0.00 0.00 178.15 176.81 1r1u h PHE 20 N -0.22 0.90 -0.75 1.37 0.04 -0.62 -2.50 116.94 115.15 1r1u h PHE 20 Ca 0.14 -0.39 0.14 0.00 2.80 0.00 0.00 57.97 60.66 1r1u h PHE 20 Cb 0.43 -0.14 -0.09 0.00 2.20 0.00 0.00 35.95 38.35 1r1u h PHE 20 CO -0.38 1.20 0.31 0.87 -0.60 0.00 0.00 178.31 179.71 1r1u h LYS 21 N 0.46 0.44 -0.33 1.51 1.57 -1.06 -0.85 116.57 118.32 1r1u h LYS 21 Ca -0.04 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1r1u h LYS 21 Cb 1.35 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 1r1u h LYS 21 CO 0.15 0.29 0.12 0.00 -0.57 0.00 0.00 179.45 179.44 1r1u h ALA 22 N 1.54 1.61 -0.00 3.86 0.00 -0.92 -2.29 119.26 123.05 1r1u h ALA 22 Ca 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1r1u h ALA 22 Cb 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1r1u h ALA 22 CO -0.39 0.31 -0.20 1.28 0.00 0.00 0.00 179.25 180.25 1r1u n LEU 23 N -4.40 0.45 -3.58 0.00 4.77 -0.40 -4.49 117.00 109.36 1r1u n LEU 23 Ca 0.02 0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.66 1r1u n LEU 23 Cb 0.14 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1r1u n LEU 23 CO 0.37 0.09 2.83 0.61 -1.33 0.00 0.00 177.39 179.96 1r1u n GLY 24 N 1.38 4.47 3.57 -0.72 0.00 -0.74 -4.60 105.19 108.56 1r1u n GLY 24 Ca 0.11 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.45 1r1u n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r1u s ASP 25 N 2.31 -0.66 0.13 1.61 -1.08 -1.26 -5.06 116.67 112.67 1r1u s ASP 25 Ca 0.55 0.99 -0.25 0.00 -0.52 0.00 0.00 52.55 53.32 1r1u s ASP 25 Cb 0.15 1.49 -0.02 0.00 -1.46 0.00 0.00 42.92 43.08 1r1u s ASP 25 CO -0.07 -0.15 1.62 0.22 0.52 0.00 0.00 175.17 177.31 1r1u h TYR 26 N 6.83 -0.80 -0.06 -5.34 3.20 -1.97 -1.62 116.97 117.21 1r1u h TYR 26 Ca -0.24 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.56 1r1u h TYR 26 Cb 1.17 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.79 1r1u h TYR 26 CO 0.14 -0.37 -0.45 -0.91 -1.64 0.00 0.00 178.16 174.92 1r1u h ASN 27 N -0.38 0.14 0.32 -2.11 2.35 -1.97 -1.72 115.58 112.21 1r1u h ASN 27 Ca 0.09 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.67 1r1u h ASN 27 Cb 0.52 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1r1u h ASN 27 CO -0.32 0.58 -0.46 0.03 -1.65 0.00 0.00 177.43 175.62 1r1u h ARG 28 N 0.11 0.17 -0.36 0.81 3.08 -1.82 -1.58 114.38 114.80 1r1u h ARG 28 Ca 0.01 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1r1u h ARG 28 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1r1u h ARG 28 CO 0.07 0.60 0.09 0.82 -1.07 0.00 0.00 179.97 180.48 1r1u h ILE 29 N 0.14 1.22 -0.72 2.04 1.08 -1.02 -1.31 117.51 118.94 1r1u h ILE 29 Ca 0.01 -0.75 0.10 0.00 -0.39 0.00 0.00 64.86 63.83 1r1u h ILE 29 Cb 0.87 1.02 -0.08 0.00 -3.07 0.00 0.00 36.82 35.56 1r1u h ILE 29 CO 0.07 0.26 0.34 0.03 -0.69 0.00 0.00 178.15 178.15 1r1u h ARG 30 N 0.44 0.55 -0.29 2.37 3.08 -1.05 -0.44 114.38 119.03 1r1u h ARG 30 Ca 0.11 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1r1u h ARG 30 Cb 0.29 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1r1u h ARG 30 CO 0.00 0.36 -0.06 0.82 -1.07 0.00 0.00 179.97 180.02 1r1u h ILE 31 N 0.57 1.28 -0.66 2.04 2.04 -1.07 -1.86 117.51 119.84 1r1u h ILE 31 Ca 0.36 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 1r1u h ILE 31 Cb 0.42 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1r1u h ILE 31 CO -0.29 0.34 0.23 0.24 0.00 0.00 0.00 178.15 178.67 1r1u h MET 32 N 0.32 1.02 0.21 2.37 2.86 -1.12 -1.00 114.93 119.59 1r1u h MET 32 Ca 0.07 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1r1u h MET 32 Cb 0.54 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1r1u h MET 32 CO 0.03 0.87 -0.10 1.49 1.06 0.00 0.00 176.91 180.25 1r1u h GLU 33 N 0.95 -0.28 -0.75 1.72 4.22 -1.03 -1.19 114.58 118.22 1r1u h GLU 33 Ca 0.22 0.02 0.13 0.00 0.08 0.00 0.00 59.36 59.80 1r1u h GLU 33 Cb 0.26 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.48 1r1u h GLU 33 CO -0.01 -0.08 0.33 1.25 -2.18 0.00 0.00 179.01 178.32 1r1u h LEU 34 N -0.42 0.36 -1.91 1.64 5.85 -1.20 -1.39 115.31 118.25 1r1u h LEU 34 Ca -0.03 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1r1u h LEU 34 Cb 0.32 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1r1u h LEU 34 CO 0.05 0.17 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.16 1r1u h LEU 35 N 0.51 0.00 -0.37 2.25 4.07 -0.78 -1.22 115.31 119.78 1r1u h LEU 35 Ca 0.40 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 58.22 1r1u h LEU 35 Cb 0.56 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 1r1u h LEU 35 CO -0.36 0.09 -0.65 0.77 -1.08 0.00 0.00 178.44 177.21 1r1u h SER 36 N 0.00 0.00 -0.11 -0.43 4.64 -0.12 -3.13 113.55 114.40 1r1u h SER 36 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1r1u h SER 36 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1r1u h SER 36 CO 0.01 0.65 -0.21 0.58 -0.87 0.00 0.00 176.83 176.99 1r1u h VAL 37 N 0.00 1.39 -1.35 0.95 2.07 -0.80 -3.48 116.25 115.03 1r1u h VAL 37 Ca -0.01 -1.50 0.14 0.00 0.82 0.00 0.00 66.70 66.15 1r1u h VAL 37 Cb 1.34 2.10 -0.27 0.00 -1.52 0.00 0.00 31.29 32.94 1r1u h VAL 37 CO 0.08 0.43 0.36 -0.55 0.02 0.00 0.00 177.57 177.92 1r1u s SER 38 N -6.23 -0.50 0.83 0.57 0.15 -0.65 -5.13 113.70 102.74 1r1u s SER 38 Ca -0.14 0.76 -0.16 0.00 0.70 0.00 0.00 55.95 57.11 1r1u s SER 38 Cb 0.04 1.33 -0.08 0.00 -1.71 0.00 0.00 66.02 65.60 1r1u s SER 38 CO 0.76 -0.12 -0.05 -1.84 1.20 0.00 0.00 173.24 173.19 1r1u n GLU 39 N 4.04 0.02 -3.55 5.44 0.28 -1.25 -4.26 120.64 121.36 1r1u n GLU 39 Ca -0.16 0.03 -0.14 0.00 -0.16 0.00 0.00 57.16 56.74 1r1u n GLU 39 Cb 0.56 -1.43 -0.06 0.00 1.43 0.00 0.00 31.44 31.95 1r1u n GLU 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1r1u s ALA 40 N -2.06 -1.86 0.49 -1.84 0.00 -0.23 -4.91 121.76 111.34 1r1u s ALA 40 Ca 0.54 1.48 -0.17 0.00 0.00 0.00 0.00 51.96 53.81 1r1u s ALA 40 Cb -0.29 -0.43 -0.08 0.00 0.00 0.00 0.00 23.12 22.32 1r1u s ALA 40 CO 0.70 -0.33 0.97 -1.54 0.00 0.00 0.00 175.76 175.55 1r1u s SER 41 N -1.11 6.69 0.24 0.00 1.04 -1.26 -0.07 113.70 119.22 1r1u s SER 41 Ca -0.06 1.57 -0.12 0.00 0.48 0.00 0.00 55.95 57.83 1r1u s SER 41 Cb -0.00 -2.51 0.33 0.00 0.10 0.00 0.00 66.02 63.94 1r1u s SER 41 CO 0.05 -0.53 1.58 0.58 0.98 0.00 0.00 173.24 175.91 1r1u h VAL 42 N 1.14 0.14 -0.94 5.02 2.07 -1.99 -1.40 116.25 120.30 1r1u h VAL 42 Ca -0.47 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.12 1r1u h VAL 42 Cb 1.18 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 1r1u h VAL 42 CO 0.62 0.00 0.59 1.23 0.02 0.00 0.00 177.57 180.03 1r1u h GLY 43 N -0.02 1.44 1.51 2.17 0.00 -1.93 -1.30 103.07 104.95 1r1u h GLY 43 Ca 0.38 -0.42 -0.20 0.00 0.00 0.00 0.00 47.33 47.09 1r1u h GLY 43 CO -0.86 0.27 -0.77 0.84 0.00 0.00 0.00 176.54 176.02 1r1u h HIS 44 N 1.05 0.65 0.00 5.60 6.17 -1.66 -1.38 115.15 125.57 1r1u h HIS 44 Ca 0.42 -0.29 -0.00 0.00 0.71 0.00 0.00 60.37 61.20 1r1u h HIS 44 Cb 0.23 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.07 1r1u h HIS 44 CO -0.02 1.07 -0.00 0.82 0.71 0.00 0.00 177.93 180.51 1r1u h ILE 45 N 0.31 1.17 -0.47 6.26 2.04 -0.87 0.22 117.51 126.17 1r1u h ILE 45 Ca -0.04 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.39 1r1u h ILE 45 Cb 1.36 1.51 -0.10 0.00 -0.74 0.00 0.00 36.82 38.86 1r1u h ILE 45 CO 0.14 0.13 -0.36 -1.28 0.00 0.00 0.00 178.15 176.78 1r1u h SER 46 N -0.22 -1.20 -0.34 1.72 0.87 -1.19 0.31 113.55 113.49 1r1u h SER 46 Ca -0.00 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1r1u h SER 46 Cb 0.22 0.56 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 1r1u h SER 46 CO 0.00 -0.33 0.16 -0.74 -0.53 0.00 0.00 176.83 175.40 1r1u h HIS 47 N -0.24 0.49 -0.33 2.24 -0.00 -1.08 0.41 115.15 116.65 1r1u h HIS 47 Ca 0.18 -0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.37 1r1u h HIS 47 Cb 0.55 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 1r1u h HIS 47 CO -0.59 0.42 -0.44 0.37 -0.00 0.00 0.00 177.93 177.69 1r1u h GLN 48 N 0.41 0.84 -0.01 5.26 5.75 -0.26 -3.30 115.11 123.80 1r1u h GLN 48 Ca 0.12 -0.47 0.00 0.00 -0.15 0.00 0.00 58.65 58.15 1r1u h GLN 48 Cb 0.12 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.70 1r1u h GLN 48 CO -0.01 1.11 -0.46 1.28 -2.65 0.00 0.00 178.83 178.10 1r1u n LEU 49 N -4.03 1.83 -3.36 -2.39 4.77 0.10 -4.98 117.00 108.94 1r1u n LEU 49 Ca -0.03 -0.67 -0.16 0.00 -0.03 0.00 0.00 56.01 55.12 1r1u n LEU 49 Cb 0.57 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.72 1r1u n LEU 49 CO 0.48 0.34 0.07 -3.20 -1.33 0.00 0.00 177.39 173.76 1r1u n ASN 50 N -0.17 -4.14 -4.22 -1.43 4.05 0.11 -5.03 115.26 104.43 1r1u n ASN 50 Ca 0.10 -0.67 -0.23 0.00 0.45 0.00 0.00 54.58 54.22 1r1u n ASN 50 Cb 0.45 -5.12 -0.14 0.00 1.23 0.00 0.00 39.78 36.20 1r1u n ASN 50 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1r1u s LEU 51 N -5.93 2.19 0.73 1.20 1.43 -1.06 -5.08 118.68 112.16 1r1u s LEU 51 Ca 0.21 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 1r1u s LEU 51 Cb -0.03 -0.82 0.04 0.00 0.03 0.00 0.00 46.19 45.41 1r1u s LEU 51 CO 0.74 0.10 1.13 -0.94 0.23 0.00 0.00 176.35 177.61 1r1u s SER 52 N -1.27 4.48 0.19 2.29 1.04 -1.26 -4.29 113.70 114.87 1r1u s SER 52 Ca 0.05 2.07 -0.03 0.00 0.48 0.00 0.00 55.95 58.52 1r1u s SER 52 Cb -0.09 -2.56 0.11 0.00 0.10 0.00 0.00 66.02 63.58 1r1u s SER 52 CO 0.02 -2.06 1.49 1.56 0.98 0.00 0.00 173.24 175.23 1r1u h GLN 53 N -0.55 0.51 -0.60 4.02 4.20 -1.94 0.48 115.11 121.23 1r1u h GLN 53 Ca -0.46 -0.34 -0.10 0.00 0.06 0.00 0.00 58.65 57.81 1r1u h GLN 53 Cb 1.26 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 1r1u h GLN 53 CO 0.51 0.95 -0.01 0.66 -0.67 0.00 0.00 178.83 180.27 1r1u h SER 54 N 0.39 1.03 0.39 1.46 4.64 -1.99 0.11 113.55 119.59 1r1u h SER 54 Ca -0.00 -0.30 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1r1u h SER 54 Cb 1.14 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1r1u h SER 54 CO 0.11 1.09 -0.19 -1.13 -0.87 0.00 0.00 176.83 175.84 1r1u h ASN 55 N 0.96 -0.45 -0.40 4.97 -0.00 -1.88 -0.02 115.58 118.77 1r1u h ASN 55 Ca 0.17 -0.02 0.07 0.00 -0.00 0.00 0.00 56.30 56.51 1r1u h ASN 55 Cb 0.57 0.12 -0.09 0.00 -0.00 0.00 0.00 38.32 38.92 1r1u h ASN 55 CO 0.03 -0.27 -0.45 0.58 -0.00 0.00 0.00 177.43 177.32 1r1u h VAL 56 N -0.59 0.09 -0.92 2.57 2.07 -0.72 0.14 116.25 118.88 1r1u h VAL 56 Ca -0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.58 1r1u h VAL 56 Cb 0.44 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 1r1u h VAL 56 CO 0.09 0.00 0.59 0.28 0.02 0.00 0.00 177.57 178.55 1r1u h SER 57 N -0.34 0.82 -0.31 0.57 0.02 -0.76 0.13 113.55 113.67 1r1u h SER 57 Ca 0.13 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1r1u h SER 57 Cb 0.59 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1r1u h SER 57 CO -0.58 0.46 0.19 -0.74 -1.14 0.00 0.00 176.83 175.02 1r1u h HIS 58 N 0.89 0.41 -0.08 3.45 6.17 0.59 -1.97 115.15 124.61 1r1u h HIS 58 Ca 0.44 0.00 -0.11 0.00 0.71 0.00 0.00 60.37 61.41 1r1u h HIS 58 Cb 0.47 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.26 1r1u h HIS 58 CO -0.00 0.30 -0.46 1.96 0.71 0.00 0.00 177.93 180.43 1r1u h GLN 59 N 0.40 0.18 -0.31 5.26 1.08 -0.11 -2.55 115.11 119.07 1r1u h GLN 59 Ca 0.11 -0.10 -0.15 0.00 -1.45 0.00 0.00 58.65 57.07 1r1u h GLN 59 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1r1u h GLN 59 CO -0.02 0.61 -0.41 -0.07 -0.95 0.00 0.00 178.83 177.99 1r1u h LEU 60 N 0.15 0.82 -0.62 1.46 3.38 -0.89 -0.01 115.31 119.60 1r1u h LEU 60 Ca 0.01 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.47 1r1u h LEU 60 Cb 0.88 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1r1u h LEU 60 CO 0.07 1.13 -0.34 0.50 0.09 0.00 0.00 178.44 179.89 1r1u h LYS 61 N 0.63 0.72 0.17 1.13 3.64 -1.24 0.30 116.57 121.92 1r1u h LYS 61 Ca 0.05 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1r1u h LYS 61 Cb 0.97 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1r1u h LYS 61 CO 0.09 0.95 -0.08 1.25 -2.27 0.00 0.00 179.45 179.39 1r1u h LEU 62 N 0.61 -0.19 -1.69 5.20 5.85 -1.08 -1.28 115.31 122.72 1r1u h LEU 62 Ca 0.06 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1r1u h LEU 62 Cb 0.86 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1r1u h LEU 62 CO 0.07 -0.02 0.15 -0.07 -0.34 0.00 0.00 178.44 178.23 1r1u h LEU 63 N -0.35 0.31 -0.45 2.25 3.38 -0.59 -1.18 115.31 118.68 1r1u h LEU 63 Ca -0.02 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1r1u h LEU 63 Cb 0.27 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1r1u h LEU 63 CO 0.04 0.25 -0.47 0.50 0.09 0.00 0.00 178.44 178.84 1r1u h LYS 64 N 0.36 0.00 0.00 1.13 3.64 -0.83 -1.09 116.57 119.78 1r1u h LYS 64 Ca 0.09 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1r1u h LYS 64 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1r1u h LYS 64 CO -0.02 0.47 -0.05 0.66 -2.27 0.00 0.00 179.45 178.25 1r1u h SER 65 N 0.00 0.00 0.00 4.20 4.64 0.02 -1.89 113.55 120.52 1r1u h SER 65 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1r1u h SER 65 Cb 1.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 1r1u h SER 65 CO 0.06 0.05 -0.40 1.33 -0.87 0.00 0.00 176.83 177.00 1r1u n VAL 66 N -3.35 1.83 -3.74 0.95 0.24 -1.14 -5.01 118.33 108.11 1r1u n VAL 66 Ca -0.02 -2.63 -0.28 0.00 -2.04 0.00 0.00 64.34 59.38 1r1u n VAL 66 Cb 0.19 -0.10 0.04 0.00 -1.47 0.00 0.00 33.84 32.50 1r1u n VAL 66 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1r1u n HIS 67 N -1.03 -2.42 -0.01 6.34 -0.00 -0.71 -4.82 115.22 112.57 1r1u n HIS 67 Ca 0.16 0.89 -0.03 0.00 -0.00 0.00 0.00 57.72 58.74 1r1u n HIS 67 Cb 0.71 -4.25 -0.12 0.00 -0.00 0.00 0.00 29.99 26.34 1r1u n HIS 67 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1r1u n LEU 68 N -4.69 0.67 -4.11 2.41 4.77 -0.43 -4.66 117.00 110.96 1r1u n LEU 68 Ca 0.02 0.30 -0.16 0.00 -0.03 0.00 0.00 56.01 56.15 1r1u n LEU 68 Cb 0.54 0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 41.68 1r1u n LEU 68 CO 0.69 0.26 -0.43 0.68 -1.33 0.00 0.00 177.39 177.27 1r1u s VAL 69 N -2.80 0.83 0.36 4.08 -7.23 -1.24 -1.19 120.40 113.22 1r1u s VAL 69 Ca -0.05 -1.13 0.05 0.00 -1.81 0.00 0.00 61.98 59.04 1r1u s VAL 69 Cb 0.08 -0.83 -0.06 0.00 0.56 0.00 0.00 36.38 36.13 1r1u s VAL 69 CO 0.82 -0.26 0.05 -1.59 -0.31 0.00 0.00 175.10 173.81 1r1u s LYS 70 N -1.54 1.78 -0.00 4.82 -2.85 -0.12 -4.32 119.74 117.50 1r1u s LYS 70 Ca -0.05 -2.00 0.00 0.00 -1.00 0.00 0.00 55.97 52.92 1r1u s LYS 70 Cb -0.09 -1.10 0.01 0.00 -2.06 0.00 0.00 37.83 34.58 1r1u s LYS 70 CO 0.01 -0.17 0.00 0.00 0.10 0.00 0.00 175.35 175.30 1r1u s ALA 71 N -3.11 0.04 -0.02 0.59 0.00 -1.26 -0.40 121.76 117.60 1r1u s ALA 71 Ca 0.34 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.39 1r1u s ALA 71 Cb 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 1r1u s ALA 71 CO 0.16 -0.02 -0.09 0.21 0.00 0.00 0.00 175.76 176.01 1r1u s LYS 72 N 0.24 0.88 -0.21 0.00 2.20 -0.47 -4.94 119.74 117.44 1r1u s LYS 72 Ca -0.02 -0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 54.98 1r1u s LYS 72 Cb -0.03 -0.83 -0.03 0.00 -1.51 0.00 0.00 37.83 35.43 1r1u s LYS 72 CO -0.01 0.16 1.61 1.03 -0.36 0.00 0.00 175.35 177.78 1r1u s ARG 73 N 0.00 3.82 -0.31 4.03 0.52 -1.26 -1.12 118.95 124.64 1r1u s ARG 73 Ca 0.00 1.68 0.01 0.00 -0.52 0.00 0.00 55.73 56.90 1r1u s ARG 73 Cb -0.06 -4.03 0.09 0.00 0.52 0.00 0.00 34.95 31.47 1r1u s ARG 73 CO 0.00 -1.26 0.06 -0.65 0.02 0.00 0.00 175.30 173.47 1r1u s GLN 74 N 4.62 1.08 6.78 3.54 -0.21 -1.17 -4.96 119.66 129.34 1r1u s GLN 74 Ca 0.71 -1.30 0.00 0.00 0.02 0.00 0.00 55.36 54.79 1r1u s GLN 74 Cb -0.25 -2.46 0.00 0.00 1.00 0.00 0.00 33.01 31.30 1r1u s GLN 74 CO 0.29 -0.91 0.00 0.41 -2.12 0.00 0.00 175.29 172.96 1r1u n GLY 75 N 4.64 1.52 0.09 3.09 0.00 -1.26 -4.00 105.19 109.27 1r1u n GLY 75 Ca -0.02 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 1r1u n GLY 75 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1r1u h GLN 76 N 0.00 -0.15 -7.04 1.61 4.15 -2.02 -3.48 115.11 108.18 1r1u h GLN 76 Ca 0.00 0.01 -0.47 0.00 0.77 0.00 0.00 58.65 58.96 1r1u h GLN 76 Cb 0.00 0.04 0.05 0.00 0.21 0.00 0.00 27.48 27.78 1r1u h GLN 76 CO 0.00 -0.10 0.11 -1.54 -1.93 0.00 0.00 178.83 175.37 1r1u s SER 77 N -4.39 5.51 0.07 -0.69 1.04 -1.26 -5.06 113.70 108.93 1r1u s SER 77 Ca -0.02 0.54 -0.21 0.00 0.48 0.00 0.00 55.95 56.74 1r1u s SER 77 Cb 0.00 -1.53 -0.06 0.00 0.10 0.00 0.00 66.02 64.53 1r1u s SER 77 CO 0.07 -1.07 0.62 -0.04 0.98 0.00 0.00 173.24 173.80 1r1u s MET 78 N -4.92 4.30 -0.23 4.02 -1.94 -1.26 -3.02 119.30 116.25 1r1u s MET 78 Ca 0.54 0.82 -0.05 0.00 -1.71 0.00 0.00 55.69 55.28 1r1u s MET 78 Cb -0.10 -3.27 -0.02 0.00 2.01 0.00 0.00 34.83 33.45 1r1u s MET 78 CO 0.43 0.55 0.00 0.42 -0.01 0.00 0.00 175.02 176.41 1r1u s ILE 79 N -0.84 3.74 0.26 2.53 -1.09 -0.28 -4.06 121.20 121.47 1r1u s ILE 79 Ca 0.31 -0.37 -0.10 0.00 -2.23 0.00 0.00 60.65 58.26 1r1u s ILE 79 Cb -0.20 -2.73 -0.07 0.00 -1.58 0.00 0.00 42.46 37.88 1r1u s ILE 79 CO 0.20 0.39 0.59 -0.31 -1.23 0.00 0.00 174.94 174.58 1r1u s TYR 80 N 1.53 3.42 0.08 3.97 2.02 0.89 -1.36 117.35 127.91 1r1u s TYR 80 Ca 0.06 0.92 -0.11 0.00 -0.37 0.00 0.00 57.07 57.57 1r1u s TYR 80 Cb -0.15 -2.30 0.01 0.00 -0.40 0.00 0.00 41.96 39.12 1r1u s TYR 80 CO -0.01 0.21 0.24 -1.54 -1.57 0.00 0.00 175.55 172.88 1r1u s SER 81 N -2.47 0.02 0.28 2.29 1.04 0.46 -1.07 113.70 114.26 1r1u s SER 81 Ca 0.48 -0.51 -0.29 0.00 0.48 0.00 0.00 55.95 56.12 1r1u s SER 81 Cb -0.11 0.36 -0.14 0.00 0.10 0.00 0.00 66.02 66.23 1r1u s SER 81 CO 0.22 -0.71 1.19 0.18 0.98 0.00 0.00 173.24 175.10 1r1u n LEU 82 N 0.09 2.54 -0.00 2.42 4.32 -1.26 -0.95 117.00 124.15 1r1u n LEU 82 Ca -0.16 1.18 -0.10 0.00 -0.02 0.00 0.00 56.01 56.90 1r1u n LEU 82 Cb 0.62 -1.37 -0.05 0.00 -1.62 0.00 0.00 43.42 41.01 1r1u n LEU 82 CO 0.21 -0.93 0.85 -0.78 -1.22 0.00 0.00 177.39 175.52 1r1u h ASP 83 N 2.78 -0.08 -1.19 -1.43 3.58 -1.42 -3.42 116.42 115.24 1r1u h ASP 83 Ca -0.43 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.05 1r1u h ASP 83 Cb 1.31 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.42 1r1u h ASP 83 CO 0.65 -0.02 0.01 -0.90 -2.88 0.00 0.00 179.24 176.10 1r1u n ASP 84 N -5.14 -0.14 0.12 2.28 3.85 -1.26 -4.85 116.55 111.41 1r1u n ASP 84 Ca -0.04 -1.10 -0.01 0.00 -0.71 0.00 0.00 54.79 52.92 1r1u n ASP 84 Cb 0.08 0.23 0.24 0.00 -1.35 0.00 0.00 41.12 40.32 1r1u n ASP 84 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 1r1u h ILE 85 N 1.06 1.33 -0.75 2.12 2.10 -1.98 -1.88 117.51 119.51 1r1u h ILE 85 Ca -0.02 -1.59 0.00 0.00 1.08 0.00 0.00 64.86 64.33 1r1u h ILE 85 Cb 0.08 1.78 -0.04 0.00 -1.09 0.00 0.00 36.82 37.56 1r1u h ILE 85 CO 0.03 0.47 0.47 0.45 -1.08 0.00 0.00 178.15 178.48 1r1u h HIS 86 N 0.11 0.97 -0.22 2.19 3.86 -1.99 0.30 115.15 120.37 1r1u h HIS 86 Ca 0.01 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.12 1r1u h HIS 86 Cb 0.84 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.99 1r1u h HIS 86 CO 0.01 0.64 -0.26 0.28 0.86 0.00 0.00 177.93 179.45 1r1u h VAL 87 N 1.02 1.32 -0.63 2.45 2.07 -1.88 -0.76 116.25 119.84 1r1u h VAL 87 Ca 0.27 -1.45 0.07 0.00 0.82 0.00 0.00 66.70 66.42 1r1u h VAL 87 Cb -0.07 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 1r1u h VAL 87 CO -0.05 0.45 0.31 0.00 0.02 0.00 0.00 177.57 178.29 1r1u h ALA 88 N 0.65 0.84 0.04 1.67 0.00 -1.23 -1.99 119.26 119.25 1r1u h ALA 88 Ca 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1r1u h ALA 88 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1r1u h ALA 88 CO 0.06 -0.07 -0.02 1.15 0.00 0.00 0.00 179.25 180.38 1r1u h THR 89 N 0.56 1.28 -0.71 0.00 2.02 -0.85 -1.61 112.91 113.59 1r1u h THR 89 Ca 0.30 -1.09 0.12 0.00 0.77 0.00 0.00 66.41 66.51 1r1u h THR 89 Cb 0.27 1.99 -0.13 0.00 -1.74 0.00 0.00 68.15 68.55 1r1u h THR 89 CO -0.23 0.27 -0.35 -0.03 0.37 0.00 0.00 175.52 175.55 1r1u h MET 90 N -0.55 -0.11 0.02 6.66 -1.53 -1.12 0.61 114.93 118.91 1r1u h MET 90 Ca -0.01 0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1r1u h MET 90 Cb 0.49 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.57 1r1u h MET 90 CO 0.01 -0.07 -0.01 1.25 0.14 0.00 0.00 176.91 178.23 1r1u h LEU 91 N -0.11 -0.02 -1.35 3.39 5.85 -1.26 -1.75 115.31 120.05 1r1u h LEU 91 Ca 0.27 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1r1u h LEU 91 Cb 0.56 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1r1u h LEU 91 CO -0.77 0.10 0.12 0.11 -0.34 0.00 0.00 178.44 177.66 1r1u h LYS 92 N -0.15 0.56 -0.22 1.25 1.57 -1.06 -0.52 116.57 118.01 1r1u h LYS 92 Ca -0.00 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 1r1u h LYS 92 Cb 0.14 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1r1u h LYS 92 CO 0.00 0.49 -0.46 1.96 -0.57 0.00 0.00 179.45 180.87 1r1u h GLN 93 N 0.55 0.70 -0.21 3.15 1.08 -0.65 -1.34 115.11 118.38 1r1u h GLN 93 Ca 0.13 -0.46 0.01 0.00 -1.45 0.00 0.00 58.65 56.88 1r1u h GLN 93 Cb 0.17 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1r1u h GLN 93 CO -0.01 1.08 0.11 0.00 -0.95 0.00 0.00 178.83 179.06 1r1u h ALA 94 N 0.61 0.25 -0.59 3.87 0.00 -1.05 0.50 119.26 122.85 1r1u h ALA 94 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r1u h ALA 94 Cb 1.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1r1u h ALA 94 CO 0.10 -0.30 0.36 0.82 0.00 0.00 0.00 179.25 180.23 1r1u h ILE 95 N 0.23 1.17 -0.45 0.00 5.03 -1.04 -0.55 117.51 121.91 1r1u h ILE 95 Ca 0.08 -0.39 -0.00 0.00 -0.12 0.00 0.00 64.86 64.44 1r1u h ILE 95 Cb 0.01 0.36 -0.02 0.00 -3.03 0.00 0.00 36.82 34.14 1r1u h ILE 95 CO -0.05 0.18 0.27 -0.74 -0.68 0.00 0.00 178.15 177.13 1r1u h HIS 96 N 0.80 0.59 -0.38 1.37 2.76 -1.01 -1.29 115.15 117.99 1r1u h HIS 96 Ca 0.21 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.42 1r1u h HIS 96 Cb -0.02 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.71 1r1u h HIS 96 CO -0.02 0.41 0.15 1.25 -1.30 0.00 0.00 177.93 178.42 1r1u h HIS 97 N 0.59 0.27 -0.05 5.26 -0.00 -0.28 -0.55 115.15 120.39 1r1u h HIS 97 Ca 0.16 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.56 1r1u h HIS 97 Cb -0.01 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.33 1r1u h HIS 97 CO -0.03 0.12 0.05 0.00 -0.00 0.00 0.00 177.93 178.07 1r1u h ALA 98 N 1.23 1.71 0.05 5.26 0.00 -0.88 -2.66 119.26 123.97 1r1u h ALA 98 Ca 0.17 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.80 1r1u h ALA 98 Cb 0.13 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.95 1r1u h ALA 98 CO -0.16 -0.08 -1.13 -0.91 0.00 0.00 0.00 179.25 176.97 1r1u h ASN 99 N 0.00 0.88 -4.22 0.00 4.21 0.06 -3.49 115.58 113.02 1r1u h ASN 99 Ca 0.02 -0.75 -0.50 0.00 1.21 0.00 0.00 56.30 56.29 1r1u h ASN 99 Cb 0.12 -0.27 0.06 0.00 -1.12 0.00 0.00 38.32 37.11 1r1u h ASN 99 CO -0.00 1.55 0.35 -1.38 -1.29 0.00 0.00 177.43 176.66 1r1u s HIS 100 N -3.16 3.45 -0.16 1.19 -3.43 -0.52 -5.05 115.29 107.62 1r1u s HIS 100 Ca -0.09 1.05 -0.18 0.00 -0.80 0.00 0.00 55.06 55.04 1r1u s HIS 100 Cb 0.06 -2.81 -0.04 0.00 -1.43 0.00 0.00 32.58 28.37 1r1u s HIS 100 CO 0.92 -0.85 0.47 -1.25 -2.00 0.00 0.00 174.74 172.04 1r1u s PRO 101 N -5.17 4.27 0.02 -0.38 0.04 -1.26 -5.01 135.00 127.51 1r1u s PRO 101 Ca 0.55 0.39 0.03 0.00 0.04 0.00 0.00 61.00 62.01 1r1u s PRO 101 Cb -0.11 -3.49 -0.01 0.00 0.04 0.00 0.00 34.50 30.93 1r1u s PRO 101 CO 0.51 0.04 -0.08 -1.59 0.04 0.00 0.00 177.00 175.92 1r1u s LYS 102 N 1.01 0.59 0.00 4.56 -2.85 -1.26 -5.23 119.74 116.55 1r1u s LYS 102 Ca 0.24 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 1r1u s LYS 102 Cb -0.15 -0.51 0.00 0.00 -2.06 0.00 0.00 37.83 35.11 1r1u s LYS 102 CO 0.09 0.12 0.42 -0.85 0.10 0.00 0.00 175.35 175.23