#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klb n ILE 2 N 0.00-11.96 -2.66 0.44 2.08 -1.26 -0.68 119.36 105.33 2klb n ILE 2 Ca 0.00 2.24 -0.42 0.00 0.56 0.00 0.00 62.75 65.13 2klb n ILE 2 Cb 0.00 -6.54 -0.03 0.00 -0.75 0.00 0.00 39.64 32.32 2klb n ILE 2 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2klb s GLY 3 N -1.11 1.20 -0.36 7.39 0.00 -1.26 -1.46 107.32 111.72 2klb s GLY 3 Ca -0.14 -1.87 -0.16 0.00 0.00 0.00 0.00 44.72 42.55 2klb s GLY 3 CO 0.75 2.47 0.41 0.54 0.00 0.00 0.00 173.10 177.28 2klb s VAL 4 N 4.85 5.12 -0.50 1.40 0.11 0.24 -1.16 120.40 130.46 2klb s VAL 4 Ca 0.35 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.25 2klb s VAL 4 Cb -0.07 -3.90 0.07 0.00 -1.53 0.00 0.00 36.38 30.95 2klb s VAL 4 CO 0.04 -0.19 0.54 -0.36 -3.33 0.00 0.00 175.10 171.80 2klb s PHE 5 N 2.12 3.13 0.54 1.54 0.08 -0.12 -1.45 117.98 123.82 2klb s PHE 5 Ca 0.13 -0.72 0.02 0.00 0.12 0.00 0.00 56.93 56.48 2klb s PHE 5 Cb -0.16 -3.42 0.02 0.00 -0.57 0.00 0.00 43.02 38.89 2klb s PHE 5 CO 0.12 -0.95 0.16 1.52 -0.10 0.00 0.00 175.22 175.97 2klb s TYR 6 N 2.22 1.63 -0.23 0.36 1.13 0.05 -0.87 117.35 121.64 2klb s TYR 6 Ca 0.10 -0.97 -0.04 0.00 -1.41 0.00 0.00 57.07 54.76 2klb s TYR 6 Cb -0.22 -1.69 0.12 0.00 -1.10 0.00 0.00 41.96 39.07 2klb s TYR 6 CO 0.09 -0.09 0.41 0.54 -2.51 0.00 0.00 175.55 173.99 2klb s VAL 7 N -2.87 -0.65 0.01 -3.49 0.11 -1.26 -0.06 120.40 112.19 2klb s VAL 7 Ca 0.12 0.02 0.18 0.00 -2.93 0.00 0.00 61.98 59.38 2klb s VAL 7 Cb -0.01 -0.77 0.13 0.00 -1.53 0.00 0.00 36.38 34.20 2klb s VAL 7 CO 0.08 -0.04 1.63 0.28 -3.33 0.00 0.00 175.10 173.71 2klb h SER 8 N 8.17 0.00 0.96 3.54 0.02 -1.93 -3.09 113.55 121.22 2klb h SER 8 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2klb h SER 8 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2klb h SER 8 CO 0.21 0.39 0.00 -0.08 -1.14 0.00 0.00 176.83 176.21 2klb h GLU 9 N 0.00 0.00 -4.28 3.45 4.57 -1.95 -3.42 114.58 112.95 2klb h GLU 9 Ca -0.00 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.56 2klb h GLU 9 Cb 1.08 0.00 -0.39 0.00 -0.16 0.00 0.00 28.75 29.28 2klb h GLU 9 CO 0.05 0.00 -0.77 -0.47 -1.18 0.00 0.00 179.01 176.64 2klb s TYR 10 N -3.38 2.54 0.00 0.92 5.04 -1.17 -5.09 117.35 116.22 2klb s TYR 10 Ca 0.04 -2.00 0.00 0.00 -2.44 0.00 0.00 57.07 52.67 2klb s TYR 10 Cb 0.09 -1.87 0.00 0.00 0.35 0.00 0.00 41.96 40.53 2klb s TYR 10 CO 0.47 -0.83 0.00 0.41 -1.34 0.00 0.00 175.55 174.26 2klb n GLY 11 N 4.62 0.48 0.03 8.97 0.00 -1.26 -3.33 105.19 114.69 2klb n GLY 11 Ca -0.07 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.16 2klb n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2klb n TYR 12 N -0.38 0.02 -0.40 1.61 4.02 -1.26 -4.37 117.16 116.40 2klb n TYR 12 Ca 0.00 -0.01 0.32 0.00 -0.01 0.00 0.00 57.90 58.20 2klb n TYR 12 Cb 0.00 0.00 0.60 0.00 -0.02 0.00 0.00 39.34 39.92 2klb n TYR 12 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2klb h SER 13 N 0.09 0.31 -0.44 7.72 0.02 -1.75 0.39 113.55 119.89 2klb h SER 13 Ca 0.00 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 2klb h SER 13 Cb 0.02 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2klb h SER 13 CO 0.00 -0.08 0.04 -2.24 -1.14 0.00 0.00 176.83 173.41 2klb h ASP 14 N 0.19 0.73 -0.21 3.07 2.03 -1.76 -1.19 116.42 119.28 2klb h ASP 14 Ca 0.73 -0.28 -0.18 0.00 -0.73 0.00 0.00 57.03 56.57 2klb h ASP 14 Cb 2.19 -0.20 -0.00 0.00 -0.83 0.00 0.00 39.33 40.49 2klb h ASP 14 CO -0.36 0.83 -0.53 0.03 -1.03 0.00 0.00 179.24 178.18 2klb h ARG 15 N 0.61 0.80 -0.65 4.15 2.47 -0.67 -2.92 114.38 118.17 2klb h ARG 15 Ca 0.13 -0.50 0.02 0.00 -1.26 0.00 0.00 59.98 58.38 2klb h ARG 15 Cb 0.43 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.77 2klb h ARG 15 CO 0.02 1.13 0.41 -0.07 0.56 0.00 0.00 179.97 182.01 2klb h LEU 16 N 0.62 0.68 -1.09 3.04 3.38 -0.85 -1.23 115.31 119.85 2klb h LEU 16 Ca 0.02 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2klb h LEU 16 Cb 1.12 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 2klb h LEU 16 CO 0.11 0.48 0.61 0.00 0.09 0.00 0.00 178.44 179.73 2klb h ALA 17 N 1.27 1.47 -0.30 1.53 0.00 -1.19 -1.57 119.26 120.47 2klb h ALA 17 Ca 0.26 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2klb h ALA 17 Cb -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2klb h ALA 17 CO -0.09 0.39 -0.04 0.37 0.00 0.00 0.00 179.25 179.88 2klb h GLN 18 N 1.09 0.47 -0.91 0.00 4.15 -1.06 -0.52 115.11 118.33 2klb h GLN 18 Ca 0.40 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.70 2klb h GLN 18 Cb 0.18 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 2klb h GLN 18 CO -0.15 0.53 0.51 0.00 -1.93 0.00 0.00 178.83 177.78 2klb h ALA 19 N 1.51 1.17 -0.12 3.38 0.00 -0.38 0.17 119.26 124.99 2klb h ALA 19 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2klb h ALA 19 Cb 0.36 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2klb h ALA 19 CO 0.01 0.67 0.05 0.82 0.00 0.00 0.00 179.25 180.80 2klb h ILE 20 N 1.27 1.16 -0.54 0.00 2.04 -0.98 -2.87 117.51 117.60 2klb h ILE 20 Ca 0.32 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 65.80 2klb h ILE 20 Cb 0.02 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2klb h ILE 20 CO -0.05 0.14 0.36 0.40 0.00 0.00 0.00 178.15 179.00 2klb h ILE 21 N 0.03 0.92 -0.68 -0.67 2.04 -0.65 -1.29 117.51 117.21 2klb h ILE 21 Ca 0.04 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.80 2klb h ILE 21 Cb 0.18 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 2klb h ILE 21 CO -0.00 0.07 0.42 -1.13 0.00 0.00 0.00 178.15 177.51 2klb h ASN 22 N 0.38 0.69 -0.05 1.72 -0.73 -0.45 0.52 115.58 117.66 2klb h ASN 22 Ca 0.24 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.24 2klb h ASN 22 Cb 0.46 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 38.89 2klb h ASN 22 CO -0.06 0.48 -0.57 1.23 -0.37 0.00 0.00 177.43 178.13 2klb h GLY 23 N 0.83 0.70 0.92 1.57 0.00 -1.19 -2.22 103.07 103.67 2klb h GLY 23 Ca 0.27 -0.84 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 2klb h GLY 23 CO -0.11 0.75 0.09 -2.22 0.00 0.00 0.00 176.54 175.06 2klb h ILE 24 N 0.49 1.22 -0.67 2.60 1.08 -0.96 -0.62 117.51 120.64 2klb h ILE 24 Ca 0.00 -0.74 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 2klb h ILE 24 Cb 1.14 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 35.90 2klb h ILE 24 CO 0.11 0.25 0.35 0.71 -0.69 0.00 0.00 178.15 178.89 2klb h THR 25 N 0.41 1.21 -0.75 -0.27 1.35 -0.95 -1.27 112.91 112.64 2klb h THR 25 Ca 0.11 -0.56 0.06 0.00 -0.55 0.00 0.00 66.41 65.47 2klb h THR 25 Cb 0.29 0.36 -0.05 0.00 -1.73 0.00 0.00 68.15 67.02 2klb h THR 25 CO 0.00 0.24 0.50 0.50 -0.25 0.00 0.00 175.52 176.51 2klb h LYS 26 N 0.92 0.80 0.00 4.72 1.63 -1.18 -0.41 116.57 123.06 2klb h LYS 26 Ca 0.23 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2klb h LYS 26 Cb 0.06 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 2klb h LYS 26 CO -0.04 0.53 0.00 2.41 -3.45 0.00 0.00 179.45 178.91 2klb n THR 27 N -4.47 0.16 -2.59 1.00 -1.04 -0.26 -4.93 114.28 102.15 2klb n THR 27 Ca 0.11 0.04 -0.04 0.00 -2.04 0.00 0.00 64.05 62.12 2klb n THR 27 Cb 0.20 -0.59 0.02 0.00 -1.82 0.00 0.00 70.33 68.14 2klb n THR 27 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2klb n GLY 28 N 1.17 0.57 3.18 3.41 0.00 -0.16 -5.07 105.19 108.28 2klb n GLY 28 Ca 0.09 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 2klb n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2klb s VAL 29 N -3.06 1.32 0.49 1.61 1.01 -0.57 -5.02 120.40 116.17 2klb s VAL 29 Ca 0.08 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 2klb s VAL 29 Cb -0.04 -1.16 -0.09 0.00 0.00 0.00 0.00 36.38 35.10 2klb s VAL 29 CO 0.14 0.16 0.98 -0.83 0.00 0.00 0.00 175.10 175.55 2klb s GLY 30 N -0.95 2.25 0.06 4.51 0.00 -1.26 -4.11 107.32 107.82 2klb s GLY 30 Ca 0.05 0.33 0.06 0.00 0.00 0.00 0.00 44.72 45.16 2klb s GLY 30 CO 0.01 0.62 -0.10 0.14 0.00 0.00 0.00 173.10 173.76 2klb s VAL 31 N -2.36 3.35 -0.39 1.40 1.01 -1.24 -0.16 120.40 122.00 2klb s VAL 31 Ca 0.61 -1.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 2klb s VAL 31 Cb -0.11 -2.51 0.09 0.00 0.00 0.00 0.00 36.38 33.85 2klb s VAL 31 CO 0.23 0.23 0.19 -1.81 0.00 0.00 0.00 175.10 173.94 2klb s ASP 32 N -1.84 5.32 -0.15 3.32 1.01 0.15 -4.51 116.67 119.96 2klb s ASP 32 Ca 0.19 -1.72 -0.07 0.00 0.71 0.00 0.00 52.55 51.66 2klb s ASP 32 Cb -0.11 -1.86 -0.04 0.00 1.01 0.00 0.00 42.92 41.92 2klb s ASP 32 CO 0.10 -0.49 0.12 0.68 0.21 0.00 0.00 175.17 175.79 2klb s VAL 33 N 1.26 5.32 -0.03 -1.27 -7.23 -1.26 -0.59 120.40 116.59 2klb s VAL 33 Ca 0.04 0.14 -0.01 0.00 -1.81 0.00 0.00 61.98 60.35 2klb s VAL 33 Cb -0.22 -3.35 0.03 0.00 0.56 0.00 0.00 36.38 33.40 2klb s VAL 33 CO -0.02 0.55 0.04 -0.69 -0.31 0.00 0.00 175.10 174.67 2klb s VAL 34 N -0.50 -0.06 -0.41 1.32 1.01 -0.53 -4.97 120.40 116.25 2klb s VAL 34 Ca 0.12 0.27 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 2klb s VAL 34 Cb -0.12 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.17 2klb s VAL 34 CO 0.02 0.12 0.53 -0.62 0.00 0.00 0.00 175.10 175.15 2klb s ASP 35 N 1.37 6.27 -0.01 3.32 -1.08 -1.26 -0.77 116.67 124.51 2klb s ASP 35 Ca -0.05 -0.42 0.03 0.00 -0.52 0.00 0.00 52.55 51.59 2klb s ASP 35 Cb -0.13 -2.27 0.09 0.00 -1.46 0.00 0.00 42.92 39.15 2klb s ASP 35 CO -0.03 -0.64 1.00 0.00 0.52 0.00 0.00 175.17 176.02 2klb n LEU 36 N 5.89 0.71 -0.07 -1.34 -0.00 0.91 -3.01 117.00 120.09 2klb n LEU 36 Ca -0.05 -0.36 0.11 0.00 -0.00 0.00 0.00 56.01 55.72 2klb n LEU 36 Cb 0.48 -0.15 0.07 0.00 -0.00 0.00 0.00 43.42 43.83 2klb n LEU 36 CO 0.49 0.16 0.23 0.61 -0.00 0.00 0.00 177.39 178.88 2klb n GLY 37 N 0.55 -0.96 4.02 1.47 0.00 -1.26 -4.80 105.19 104.20 2klb n GLY 37 Ca 0.03 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 2klb n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klb s ALA 38 N -2.91 4.27 -0.77 4.61 0.00 -1.17 -4.95 121.76 120.84 2klb s ALA 38 Ca 0.12 -2.03 -0.25 0.00 0.00 0.00 0.00 51.96 49.79 2klb s ALA 38 Cb 0.17 -1.68 -0.07 0.00 0.00 0.00 0.00 23.12 21.55 2klb s ALA 38 CO 0.75 -1.21 2.09 0.00 0.00 0.00 0.00 175.76 177.39 2klb s ALA 39 N -2.92 1.53 0.59 0.00 0.00 -1.26 -4.95 121.76 114.75 2klb s ALA 39 Ca 0.65 -1.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.41 2klb s ALA 39 Cb -0.05 -4.49 -0.04 0.00 0.00 0.00 0.00 23.12 18.55 2klb s ALA 39 CO 0.42 -4.86 1.22 0.14 0.00 0.00 0.00 175.76 172.67 2klb s VAL 40 N 11.24 2.59 0.24 0.00 -7.23 -1.26 -5.05 120.40 120.93 2klb s VAL 40 Ca 0.78 0.38 -0.09 0.00 -1.81 0.00 0.00 61.98 61.24 2klb s VAL 40 Cb -0.10 -3.15 -0.01 0.00 0.56 0.00 0.00 36.38 33.67 2klb s VAL 40 CO 0.08 -0.07 0.37 -0.62 -0.31 0.00 0.00 175.10 174.55 2klb s ASP 41 N -1.55 0.05 0.56 4.85 2.15 -1.26 -5.04 116.67 116.43 2klb s ASP 41 Ca 0.77 -1.11 0.33 0.00 0.43 0.00 0.00 52.55 52.97 2klb s ASP 41 Cb -0.31 0.53 1.65 0.00 -0.30 0.00 0.00 42.92 44.49 2klb s ASP 41 CO 0.34 -1.06 2.12 -0.07 -0.17 0.00 0.00 175.17 176.33 2klb h LEU 42 N 2.36 0.00 -0.66 -1.34 -0.00 -1.98 -2.25 115.31 111.43 2klb h LEU 42 Ca -0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.56 2klb h LEU 42 Cb 1.25 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.88 2klb h LEU 42 CO 0.41 0.06 0.31 1.56 -0.00 0.00 0.00 178.44 180.79 2klb h GLN 43 N 0.00 0.96 0.10 1.13 4.20 -2.00 -0.38 115.11 119.12 2klb h GLN 43 Ca -0.00 -0.14 -0.16 0.00 0.06 0.00 0.00 58.65 58.41 2klb h GLN 43 Cb 0.31 -0.17 0.02 0.00 0.30 0.00 0.00 27.48 27.94 2klb h GLN 43 CO 0.01 0.76 -0.68 0.93 -0.67 0.00 0.00 178.83 179.19 2klb h GLU 44 N 0.92 0.28 -0.93 1.46 3.07 -1.91 -3.34 114.58 114.13 2klb h GLU 44 Ca 0.23 -0.44 0.10 0.00 -0.50 0.00 0.00 59.36 58.75 2klb h GLU 44 Cb 0.13 0.16 -0.07 0.00 -0.84 0.00 0.00 28.75 28.12 2klb h GLU 44 CO -0.03 1.18 0.60 1.25 -1.40 0.00 0.00 179.01 180.61 2klb h LEU 45 N -0.40 0.85 -2.61 1.33 6.46 -1.38 -1.30 115.31 118.25 2klb h LEU 45 Ca -0.11 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2klb h LEU 45 Cb 1.50 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 41.28 2klb h LEU 45 CO 0.13 0.49 -0.01 -0.09 -0.62 0.00 0.00 178.44 178.34 2klb h ARG 46 N 0.94 0.00 0.00 1.25 2.43 -1.18 -1.06 114.38 116.76 2klb h ARG 46 Ca 0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 2klb h ARG 46 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2klb h ARG 46 CO -0.20 0.01 0.06 0.93 -1.51 0.00 0.00 179.97 179.27 2klb h GLU 47 N 0.00 0.00 -0.84 0.20 4.39 -1.39 -1.30 114.58 115.64 2klb h GLU 47 Ca -0.00 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.87 2klb h GLU 47 Cb 0.08 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.67 2klb h GLU 47 CO 0.00 0.00 0.56 1.25 -1.16 0.00 0.00 179.01 179.66 2klb h LEU 48 N 0.00 0.43 -0.52 1.33 5.85 -1.37 -0.25 115.31 120.78 2klb h LEU 48 Ca 0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2klb h LEU 48 Cb 0.13 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2klb h LEU 48 CO 0.00 0.20 0.27 0.58 -0.34 0.00 0.00 178.44 179.15 2klb h VAL 49 N 0.45 1.19 0.00 1.05 2.07 -1.46 0.41 116.25 119.95 2klb h VAL 49 Ca 0.43 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 2klb h VAL 49 Cb 0.98 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2klb h VAL 49 CO -0.16 0.20 -0.77 1.23 0.02 0.00 0.00 177.57 178.10 2klb h GLY 50 N 0.70 0.00 -1.34 2.17 0.00 -1.53 -3.28 103.07 99.79 2klb h GLY 50 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2klb h GLY 50 CO -0.03 0.00 -0.17 0.54 0.00 0.00 0.00 176.54 176.88 2klb n ARG 51 N -2.99 1.81 -0.35 4.80 3.00 -0.18 -4.80 116.66 117.95 2klb n ARG 51 Ca -0.01 -1.44 -0.07 0.00 -0.01 0.00 0.00 57.85 56.31 2klb n ARG 51 Cb 0.68 -1.47 -0.06 0.00 0.00 0.00 0.00 32.46 31.61 2klb n ARG 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2klb h THR 53 N 0.00 0.06 -1.78 0.00 1.35 -1.87 -3.43 112.91 107.23 2klb h THR 53 Ca 0.17 -0.06 0.03 0.00 -0.55 0.00 0.00 66.41 66.00 2klb h THR 53 Cb 0.38 1.06 -0.24 0.00 -1.73 0.00 0.00 68.15 67.62 2klb h THR 53 CO -0.80 0.00 0.26 -0.83 -0.25 0.00 0.00 175.52 173.91 2klb s GLY 54 N -4.15 -0.33 0.12 5.82 0.00 -0.40 -1.69 107.32 106.68 2klb s GLY 54 Ca -0.04 2.53 -0.23 0.00 0.00 0.00 0.00 44.72 46.98 2klb s GLY 54 CO 0.44 2.06 1.06 1.47 0.00 0.00 0.00 173.10 178.13 2klb n LEU 55 N 3.04 0.00 -3.76 0.66 -0.00 -0.78 -4.05 117.00 112.12 2klb n LEU 55 Ca -0.16 -1.10 -0.13 0.00 -0.00 0.00 0.00 56.01 54.62 2klb n LEU 55 Cb 0.57 2.43 -0.14 0.00 -0.00 0.00 0.00 43.42 46.27 2klb n LEU 55 CO 0.02 -0.37 -0.23 0.54 -0.00 0.00 0.00 177.39 177.35 2klb s VAL 56 N -2.06 -0.04 -0.06 1.47 0.11 -0.31 -0.36 120.40 119.15 2klb s VAL 56 Ca 0.24 0.16 0.05 0.00 -2.93 0.00 0.00 61.98 59.50 2klb s VAL 56 Cb -0.02 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.57 2klb s VAL 56 CO 0.03 0.07 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.04 2klb s ILE 57 N 1.06 2.56 -0.10 7.04 1.09 0.05 -0.95 121.20 131.96 2klb s ILE 57 Ca -0.08 -0.89 -0.08 0.00 -1.10 0.00 0.00 60.65 58.49 2klb s ILE 57 Cb -0.10 -1.97 -0.04 0.00 -1.06 0.00 0.00 42.46 39.28 2klb s ILE 57 CO -0.05 0.57 0.19 -0.83 -0.10 0.00 0.00 174.94 174.72 2klb s GLY 58 N -0.37 2.21 0.49 6.18 0.00 -0.05 -3.93 107.32 111.86 2klb s GLY 58 Ca 0.03 -0.57 -0.22 0.00 0.00 0.00 0.00 44.72 43.95 2klb s GLY 58 CO 0.02 -0.30 1.21 -3.16 0.00 0.00 0.00 173.10 170.86 2klb s MET 59 N -1.08 3.54 -0.03 2.90 0.23 -1.26 -4.88 119.30 118.72 2klb s MET 59 Ca 0.17 1.86 -0.04 0.00 -1.03 0.00 0.00 55.69 56.65 2klb s MET 59 Cb -0.13 -2.31 -0.04 0.00 -1.53 0.00 0.00 34.83 30.82 2klb s MET 59 CO 0.06 -0.76 0.20 -1.54 -2.03 0.00 0.00 175.02 170.95 2klb s SER 60 N -1.32 6.41 1.07 -1.18 1.04 -1.26 -4.98 113.70 113.48 2klb s SER 60 Ca 0.67 0.42 -0.12 0.00 0.48 0.00 0.00 55.95 57.41 2klb s SER 60 Cb -0.31 -2.04 0.17 0.00 0.10 0.00 0.00 66.02 63.94 2klb s SER 60 CO 0.37 0.29 0.79 -0.81 0.98 0.00 0.00 173.24 174.85 2klb n PRO 61 N 1.19 -1.54 0.05 4.02 -0.04 -1.26 -4.60 135.00 132.82 2klb n PRO 61 Ca -0.13 -1.23 -0.12 0.00 -0.04 0.00 0.00 63.50 61.98 2klb n PRO 61 Cb 0.53 -0.96 -0.05 0.00 -0.04 0.00 0.00 33.50 32.98 2klb n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2klb h ALA 62 N -2.14 -0.44 -0.22 0.55 0.00 -1.99 0.11 119.26 115.13 2klb h ALA 62 Ca -0.27 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2klb h ALA 62 Cb 0.78 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 2klb h ALA 62 CO 0.19 -0.82 -0.03 0.00 0.00 0.00 0.00 179.25 178.58 2klb h ALA 63 N 0.29 0.16 0.01 0.00 0.00 -1.99 -0.82 119.26 116.92 2klb h ALA 63 Ca 0.06 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2klb h ALA 63 Cb 0.55 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2klb h ALA 63 CO -0.27 -0.45 -0.00 0.77 0.00 0.00 0.00 179.25 179.29 2klb h SER 64 N 0.03 -0.01 -0.34 0.00 0.02 -1.83 -2.75 113.55 108.68 2klb h SER 64 Ca 0.10 -0.25 0.07 0.00 -0.84 0.00 0.00 61.79 60.87 2klb h SER 64 Cb 0.15 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 2klb h SER 64 CO -0.20 0.25 -0.06 0.00 -1.14 0.00 0.00 176.83 175.68 2klb h ALA 65 N 0.73 0.25 0.00 3.77 0.00 -0.60 0.46 119.26 123.88 2klb h ALA 65 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2klb h ALA 65 Cb 0.26 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2klb h ALA 65 CO 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.81 2klb h ALA 66 N 1.33 1.00 0.00 0.00 0.00 -1.17 0.12 119.26 120.53 2klb h ALA 66 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.75 2klb h ALA 66 Cb 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2klb h ALA 66 CO -0.33 0.00 -2.06 0.43 0.00 0.00 0.00 179.25 177.29 2klb n SER 67 N -2.84 0.39 0.01 0.00 7.64 0.02 -4.43 113.62 114.41 2klb n SER 67 Ca -0.01 0.18 0.11 0.00 1.01 0.00 0.00 58.87 60.16 2klb n SER 67 Cb 0.16 0.56 -0.02 0.00 -1.01 0.00 0.00 64.21 63.90 2klb n SER 67 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2klb n ILE 68 N -2.86 0.08 -0.33 0.44 5.41 0.14 -4.53 119.36 117.71 2klb n ILE 68 Ca -0.25 -0.18 0.23 0.00 1.00 0.00 0.00 62.75 63.55 2klb n ILE 68 Cb 1.09 0.42 0.45 0.00 -0.71 0.00 0.00 39.64 40.89 2klb n ILE 68 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 2klb h GLN 69 N 0.00 0.27 0.14 0.38 4.15 -0.99 0.37 115.11 119.44 2klb h GLN 69 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 2klb h GLN 69 Cb 0.67 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.30 2klb h GLN 69 CO 0.00 0.18 -0.07 0.78 -1.93 0.00 0.00 178.83 177.79 2klb h GLY 70 N 0.28 -0.20 1.85 2.39 0.00 -1.86 -3.13 103.07 102.41 2klb h GLY 70 Ca 0.71 0.07 0.02 0.00 0.00 0.00 0.00 47.33 48.14 2klb h GLY 70 CO -0.63 -0.07 0.06 0.00 0.00 0.00 0.00 176.54 175.89 2klb h ALA 71 N 0.18 1.90 -0.44 3.60 0.00 -1.15 -2.23 119.26 121.10 2klb h ALA 71 Ca -0.02 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2klb h ALA 71 Cb 0.45 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2klb h ALA 71 CO 0.03 -0.09 0.24 1.25 0.00 0.00 0.00 179.25 180.68 2klb h LEU 72 N 0.00 0.37 -0.55 0.00 5.85 -0.33 0.26 115.31 120.91 2klb h LEU 72 Ca 0.03 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2klb h LEU 72 Cb 0.14 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2klb h LEU 72 CO -0.00 0.26 0.31 0.28 -0.34 0.00 0.00 178.44 178.96 2klb h SER 73 N 0.48 0.49 -0.39 1.25 0.02 -1.40 -0.62 113.55 113.39 2klb h SER 73 Ca 0.19 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 2klb h SER 73 Cb 0.06 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 2klb h SER 73 CO -0.11 0.34 0.11 0.74 -1.14 0.00 0.00 176.83 176.77 2klb h THR 74 N 0.61 0.85 0.55 -2.27 2.02 -1.27 -1.61 112.91 111.79 2klb h THR 74 Ca 0.23 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 2klb h THR 74 Cb 0.07 0.57 0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2klb h THR 74 CO -0.12 0.05 -0.27 0.40 0.37 0.00 0.00 175.52 175.95 2klb h ILE 75 N 0.25 0.44 -0.57 3.11 2.04 -0.59 -1.81 117.51 120.40 2klb h ILE 75 Ca 0.18 -0.08 0.15 0.00 1.00 0.00 0.00 64.86 66.11 2klb h ILE 75 Cb 0.19 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2klb h ILE 75 CO -0.21 0.01 0.40 -0.07 0.00 0.00 0.00 178.15 178.28 2klb h LEU 76 N -0.80 0.09 0.00 1.44 3.38 -0.97 0.34 115.31 118.78 2klb h LEU 76 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2klb h LEU 76 Cb 0.59 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2klb h LEU 76 CO 0.12 0.05 -0.63 1.23 0.09 0.00 0.00 178.44 179.30 2klb h GLY 77 N 0.09 0.00 -0.68 0.83 0.00 -1.15 -3.36 103.07 98.80 2klb h GLY 77 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2klb h GLY 77 CO -0.03 0.00 -0.64 1.44 0.00 0.00 0.00 176.54 177.32 2klb n SER 78 N -2.92 1.70 -4.51 0.19 7.64 0.01 -4.98 113.62 110.75 2klb n SER 78 Ca 0.01 -1.35 -0.29 0.00 1.01 0.00 0.00 58.87 58.24 2klb n SER 78 Cb 0.60 0.64 0.16 0.00 -1.01 0.00 0.00 64.21 64.60 2klb n SER 78 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2klb s VAL 79 N -2.63 1.94 0.58 0.44 -7.23 -0.64 -5.07 120.40 107.79 2klb s VAL 79 Ca 0.15 0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.41 2klb s VAL 79 Cb 0.17 -2.79 0.09 0.00 0.56 0.00 0.00 36.38 34.41 2klb s VAL 79 CO 0.66 0.00 0.80 0.21 -0.31 0.00 0.00 175.10 176.46 2klb s ASN 80 N -4.26 5.09 0.21 4.85 3.84 -1.26 -5.05 114.94 118.36 2klb s ASN 80 Ca 0.67 -0.82 0.23 0.00 0.21 0.00 0.00 52.86 53.15 2klb s ASN 80 Cb -0.11 0.26 0.20 0.00 -0.55 0.00 0.00 41.25 41.06 2klb s ASN 80 CO 0.53 -1.35 1.26 -0.08 -2.79 0.00 0.00 177.10 174.67 2klb h GLU 81 N 0.16 0.00 -0.39 0.43 4.81 -1.98 -3.41 114.58 114.20 2klb h GLU 81 Ca -0.30 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.67 2klb h GLU 81 Cb 1.29 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 30.38 2klb h GLU 81 CO 0.41 0.00 -0.78 0.36 -0.73 0.00 0.00 179.01 178.27 2klb n LYS 82 N -2.53 1.37 -2.92 1.92 2.85 -1.26 -3.84 118.16 113.74 2klb n LYS 82 Ca 0.02 -2.54 -0.21 0.00 -1.05 0.00 0.00 58.31 54.52 2klb n LYS 82 Cb 0.50 -0.70 0.02 0.00 -0.65 0.00 0.00 35.03 34.20 2klb n LYS 82 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 2klb s GLN 83 N -1.84 2.88 -0.34 -1.58 0.00 -1.26 -4.82 119.66 112.69 2klb s GLN 83 Ca 0.22 -0.69 -0.21 0.00 -0.00 0.00 0.00 55.36 54.68 2klb s GLN 83 Cb 0.41 -2.57 0.00 0.00 0.00 0.00 0.00 33.01 30.84 2klb s GLN 83 CO -0.05 -0.39 0.67 0.00 0.00 0.00 0.00 175.29 175.53 2klb s ALA 84 N -2.57 3.48 -0.24 2.60 0.00 -0.68 -2.48 121.76 121.87 2klb s ALA 84 Ca 0.51 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2klb s ALA 84 Cb -0.10 -3.20 0.04 0.00 0.00 0.00 0.00 23.12 19.85 2klb s ALA 84 CO 0.37 -1.29 -0.11 0.14 0.00 0.00 0.00 175.76 174.87 2klb s VAL 85 N 2.78 2.45 0.32 0.00 -7.23 0.24 -1.87 120.40 117.08 2klb s VAL 85 Ca 0.26 -1.20 -0.24 0.00 -1.81 0.00 0.00 61.98 59.00 2klb s VAL 85 Cb -0.14 -2.25 -0.10 0.00 0.56 0.00 0.00 36.38 34.45 2klb s VAL 85 CO 0.14 0.21 0.89 -0.83 -0.31 0.00 0.00 175.10 175.20 2klb s GLY 86 N 1.25 2.69 -0.17 2.32 0.00 0.52 -2.13 107.32 111.79 2klb s GLY 86 Ca -0.01 0.41 -0.16 0.00 0.00 0.00 0.00 44.72 44.95 2klb s GLY 86 CO -0.07 0.80 0.46 -1.50 0.00 0.00 0.00 173.10 172.80 2klb s ILE 87 N -1.69 0.00 -0.27 0.90 1.10 -1.26 -0.77 121.20 119.21 2klb s ILE 87 Ca 0.50 -0.01 -0.02 0.00 -0.51 0.00 0.00 60.65 60.61 2klb s ILE 87 Cb -0.17 -0.65 0.16 0.00 0.15 0.00 0.00 42.46 41.95 2klb s ILE 87 CO 0.21 -0.01 0.50 0.72 -2.11 0.00 0.00 174.94 174.25 2klb s PHE 88 N 0.19 -1.22 -0.08 3.50 -0.71 -1.25 -3.56 117.98 114.84 2klb s PHE 88 Ca -0.00 1.35 -0.20 0.00 -1.04 0.00 0.00 56.93 57.04 2klb s PHE 88 Cb -0.03 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 2klb s PHE 88 CO 0.01 -0.78 0.55 -1.21 -1.34 0.00 0.00 175.22 172.45 2klb s GLU 89 N 2.71 4.35 0.13 1.99 8.01 -1.26 -4.38 118.70 130.24 2klb s GLU 89 Ca 0.15 0.61 -0.24 0.00 0.01 0.00 0.00 54.97 55.51 2klb s GLU 89 Cb -0.15 -3.41 0.08 0.00 -4.31 0.00 0.00 34.13 26.34 2klb s GLU 89 CO -0.18 0.19 1.12 -0.08 0.01 0.00 0.00 175.26 176.32 2klb s THR 90 N 0.45 0.00 0.00 3.63 -1.32 -1.26 -4.66 115.64 112.48 2klb s THR 90 Ca 0.30 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.32 2klb s THR 90 Cb -0.16 -2.99 0.00 0.00 -1.51 0.00 0.00 72.50 67.83 2klb s THR 90 CO 0.14 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.16 2klb n GLY 91 N -0.79 2.96 0.00 6.08 0.00 -0.82 -4.69 105.19 107.93 2klb n GLY 91 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2klb n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2klb n GLY 92 N -2.00 -0.28 0.00 -0.02 0.00 -1.18 -4.77 105.19 96.94 2klb n GLY 92 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2klb n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2klb n GLY 93 N 0.00 -1.78 3.47 -0.02 0.00 -1.26 -4.78 105.19 100.83 2klb n GLY 93 Ca 0.00 0.77 -0.43 0.00 0.00 0.00 0.00 46.02 46.36 2klb n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2klb s ASP 94 N 0.00 6.16 -0.33 1.61 1.11 -1.26 -5.03 116.67 118.93 2klb s ASP 94 Ca 0.00 -0.76 -0.01 0.00 0.18 0.00 0.00 52.55 51.96 2klb s ASP 94 Cb 0.00 -2.20 0.12 0.00 1.07 0.00 0.00 42.92 41.91 2klb s ASP 94 CO 0.00 -0.54 0.17 1.51 1.18 0.00 0.00 175.17 177.49 2klb s ASP 95 N 1.77 3.38 -0.23 0.27 -4.77 -1.26 -4.89 116.67 110.94 2klb s ASP 95 Ca 0.10 -1.82 -0.10 0.00 -3.30 0.00 0.00 52.55 47.43 2klb s ASP 95 Cb -0.18 -0.50 -0.10 0.00 -1.09 0.00 0.00 42.92 41.05 2klb s ASP 95 CO 0.12 -0.37 -0.28 -0.62 0.70 0.00 0.00 175.17 174.73 2klb n GLU 96 N 4.55 0.49 -0.66 2.11 1.02 -1.26 -4.59 120.64 122.30 2klb n GLU 96 Ca 0.03 0.20 -0.09 0.00 -0.02 0.00 0.00 57.16 57.28 2klb n GLU 96 Cb 0.39 -1.32 0.14 0.00 -0.02 0.00 0.00 31.44 30.63 2klb n GLU 96 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2klb n PRO 97 N -3.91 2.12 0.11 3.49 -0.04 -1.26 -4.66 135.00 130.85 2klb n PRO 97 Ca -0.44 -1.76 -0.13 0.00 -0.04 0.00 0.00 63.50 61.13 2klb n PRO 97 Cb 0.83 -1.75 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 2klb n PRO 97 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2klb h ILE 98 N 1.02 0.85 -0.04 0.52 2.10 -1.95 -2.75 117.51 117.26 2klb h ILE 98 Ca 0.27 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 66.21 2klb h ILE 98 Cb 1.90 0.85 -0.00 0.00 -1.09 0.00 0.00 36.82 38.48 2klb h ILE 98 CO 0.55 0.00 0.02 0.44 -1.08 0.00 0.00 178.15 178.08 2klb h ASP 99 N -0.20 0.06 -0.41 2.19 3.32 -1.95 -0.78 116.42 118.65 2klb h ASP 99 Ca -0.02 -0.14 0.08 0.00 0.02 0.00 0.00 57.03 56.98 2klb h ASP 99 Cb 0.16 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.61 2klb h ASP 99 CO 0.03 0.18 -0.12 -0.65 -1.72 0.00 0.00 179.24 176.96 2klb h PRO 100 N -0.07 -0.02 -0.19 3.56 0.11 -1.92 0.56 132.00 134.04 2klb h PRO 100 Ca 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2klb h PRO 100 Cb 0.14 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 2klb h PRO 100 CO -0.00 -0.02 0.08 -0.07 -0.21 0.00 0.00 178.00 177.78 2klb h LEU 101 N -0.02 0.26 -1.13 2.35 4.07 -1.35 -1.84 115.31 117.64 2klb h LEU 101 Ca 0.20 -0.16 0.04 0.00 0.08 0.00 0.00 57.88 58.04 2klb h LEU 101 Cb 0.33 -0.07 -0.05 0.00 1.08 0.00 0.00 40.66 41.95 2klb h LEU 101 CO -0.44 0.34 0.59 -0.07 -1.08 0.00 0.00 178.44 177.79 2klb h LEU 102 N 0.15 0.97 -0.81 1.67 3.38 -0.93 -1.66 115.31 118.08 2klb h LEU 102 Ca 0.06 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2klb h LEU 102 Cb 0.16 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2klb h LEU 102 CO -0.01 0.67 0.51 -1.28 0.09 0.00 0.00 178.44 178.42 2klb h SER 103 N 1.13 0.83 -0.24 -0.43 0.87 -0.54 -2.91 113.55 112.25 2klb h SER 103 Ca 0.36 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.96 2klb h SER 103 Cb 0.02 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.76 2klb h SER 103 CO -0.11 0.56 -0.02 0.11 -0.53 0.00 0.00 176.83 176.85 2klb h LYS 104 N 0.98 0.05 -0.40 2.24 1.79 -0.46 -0.30 116.57 120.47 2klb h LYS 104 Ca 0.33 -0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.85 2klb h LYS 104 Cb 0.06 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.65 2klb h LYS 104 CO -0.13 0.03 0.12 0.74 -1.08 0.00 0.00 179.45 179.14 2klb h PHE 105 N 0.05 0.22 0.13 -1.35 0.04 -1.33 -0.68 116.94 114.02 2klb h PHE 105 Ca 0.11 0.02 -0.28 0.00 2.80 0.00 0.00 57.97 60.63 2klb h PHE 105 Cb 0.16 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 38.28 2klb h PHE 105 CO -0.21 0.07 -1.24 -0.09 -0.60 0.00 0.00 178.31 176.24 2klb h ARG 106 N 0.27 0.31 -0.14 1.51 2.43 -1.43 -0.36 114.38 116.98 2klb h ARG 106 Ca 0.19 -0.51 -0.10 0.00 -0.81 0.00 0.00 59.98 58.75 2klb h ARG 106 Cb 0.19 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2klb h ARG 106 CO -0.21 1.23 -0.29 -0.91 -1.51 0.00 0.00 179.97 178.28 2klb h ASN 107 N 0.10 0.50 -0.13 -3.80 2.35 -0.96 -3.30 115.58 110.34 2klb h ASN 107 Ca -0.14 -0.56 -0.19 0.00 -0.55 0.00 0.00 56.30 54.85 2klb h ASN 107 Cb 1.96 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 40.19 2klb h ASN 107 CO 0.21 0.97 -0.68 -0.07 -1.65 0.00 0.00 177.43 176.21 2klb h LEU 108 N 0.05 0.82 -0.04 1.61 4.07 -1.24 -3.49 115.31 117.10 2klb h LEU 108 Ca 0.00 -0.64 0.00 0.00 0.08 0.00 0.00 57.88 57.33 2klb h LEU 108 Cb 0.89 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.39 2klb h LEU 108 CO 0.07 1.33 0.00 0.61 -1.08 0.00 0.00 178.44 179.36 2klb n GLY 109 N 0.72 0.83 3.75 0.83 0.00 -0.31 -4.68 105.19 106.33 2klb n GLY 109 Ca -0.08 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2klb n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2klb s LEU 110 N -0.04 4.50 -0.83 0.99 1.43 -0.30 -4.62 118.68 119.82 2klb s LEU 110 Ca 0.00 1.56 -0.25 0.00 -1.03 0.00 0.00 54.13 54.41 2klb s LEU 110 Cb 0.00 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 2klb s LEU 110 CO 0.00 0.06 1.82 -0.89 0.23 0.00 0.00 176.35 177.57 2klb s THR 111 N -0.38 3.50 -0.10 5.49 2.01 -1.03 -4.87 115.64 120.25 2klb s THR 111 Ca 0.39 -0.21 -0.22 0.00 0.31 0.00 0.00 61.69 61.96 2klb s THR 111 Cb -0.22 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 2klb s THR 111 CO 0.25 -1.12 0.64 0.42 -0.69 0.00 0.00 174.62 174.12 2klb s THR 112 N 8.90 5.07 0.00 -0.82 -4.23 -1.25 -0.59 115.64 122.72 2klb s THR 112 Ca 0.64 1.30 0.00 0.00 -1.18 0.00 0.00 61.69 62.45 2klb s THR 112 Cb -0.08 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 69.79 2klb s THR 112 CO 0.05 0.24 0.81 0.00 -0.54 0.00 0.00 174.62 175.18 2klb n ALA 113 N 3.97 -0.21 -3.11 3.99 0.00 -0.91 -4.82 120.51 119.42 2klb n ALA 113 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.44 2klb n ALA 113 Cb 0.51 0.13 -0.00 0.00 0.00 0.00 0.00 19.45 20.08 2klb n ALA 113 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2klb s PHE 114 N -2.24 -1.36 -0.19 0.00 5.36 -1.23 -4.98 117.98 113.34 2klb s PHE 114 Ca 0.00 0.48 -0.29 0.00 -0.96 0.00 0.00 56.93 56.15 2klb s PHE 114 Cb 0.00 0.24 -0.03 0.00 -0.34 0.00 0.00 43.02 42.89 2klb s PHE 114 CO 0.00 -0.86 1.64 -1.25 -1.46 0.00 0.00 175.22 173.29 2klb s PRO 115 N 2.32 3.84 -0.20 10.12 0.04 -1.26 -4.43 135.00 145.43 2klb s PRO 115 Ca 0.16 1.77 0.17 0.00 0.04 0.00 0.00 61.00 63.13 2klb s PRO 115 Cb -0.04 -4.04 0.46 0.00 0.04 0.00 0.00 34.50 30.92 2klb s PRO 115 CO -0.16 -1.24 1.17 0.00 0.04 0.00 0.00 177.00 176.80 2klb n ALA 116 N 8.32 3.38 -1.63 8.56 0.00 -1.26 -4.99 120.51 132.88 2klb n ALA 116 Ca 0.19 -3.04 -0.15 0.00 0.00 0.00 0.00 53.44 50.44 2klb n ALA 116 Cb 0.45 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 19.19 2klb n ALA 116 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2klb s ILE 117 N -3.05 3.06 0.00 0.00 2.07 -1.26 -3.90 121.20 118.11 2klb s ILE 117 Ca 0.37 -0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 2klb s ILE 117 Cb 0.37 -3.87 0.00 0.00 0.13 0.00 0.00 42.46 39.09 2klb s ILE 117 CO -0.05 -0.11 0.65 -2.11 -1.91 0.00 0.00 174.94 171.41 2klb n ARG 118 N 8.29 0.00 -3.21 3.50 1.85 -1.26 -5.14 116.66 120.69 2klb n ARG 118 Ca 0.42 -0.49 -0.39 0.00 -1.00 0.00 0.00 57.85 56.40 2klb n ARG 118 Cb 0.46 0.30 -0.06 0.00 -1.05 0.00 0.00 32.46 32.11 2klb n ARG 118 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2klb s ILE 119 N 0.00 4.80 0.15 8.89 -1.09 -1.25 -4.99 121.20 127.71 2klb s ILE 119 Ca 0.00 1.28 -0.20 0.00 -2.23 0.00 0.00 60.65 59.49 2klb s ILE 119 Cb 0.00 -3.94 0.05 0.00 -1.58 0.00 0.00 42.46 36.99 2klb s ILE 119 CO 0.00 0.48 1.65 0.07 -1.23 0.00 0.00 174.94 175.91 2klb h LYS 120 N 5.11 -0.14 0.00 2.79 2.10 -1.97 -3.47 116.57 120.99 2klb h LYS 120 Ca -0.47 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2klb h LYS 120 Cb 1.21 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2klb h LYS 120 CO 0.67 -0.10 0.00 0.94 -2.00 0.00 0.00 179.45 178.96 2klb n GLN 121 N -5.34 0.00 -2.94 0.07 7.27 -1.26 -4.96 117.38 110.22 2klb n GLN 121 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.72 2klb n GLN 121 Cb 0.26 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.84 2klb n GLN 121 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2klb s THR 122 N 0.00 4.43 -0.47 1.69 -4.23 -1.26 -1.94 115.64 113.86 2klb s THR 122 Ca 0.00 1.44 -0.28 0.00 -1.18 0.00 0.00 61.69 61.67 2klb s THR 122 Cb 0.00 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 70.04 2klb s THR 122 CO 0.00 -0.02 1.67 -2.16 -0.54 0.00 0.00 174.62 173.57 2klb s PRO 123 N -2.49 3.16 0.76 3.99 0.04 -1.26 -4.77 135.00 134.43 2klb s PRO 123 Ca 0.52 0.90 -0.08 0.00 0.04 0.00 0.00 61.00 62.38 2klb s PRO 123 Cb -0.14 -4.21 0.17 0.00 0.04 0.00 0.00 34.50 30.36 2klb s PRO 123 CO 0.19 -2.08 1.04 0.25 0.04 0.00 0.00 177.00 176.44 2klb n THR 124 N 7.18 0.00 -0.31 1.26 -2.24 -1.26 -4.88 114.28 114.04 2klb n THR 124 Ca 0.19 -1.11 0.23 0.00 -2.27 0.00 0.00 64.05 61.09 2klb n THR 124 Cb 0.49 -1.28 0.53 0.00 -2.10 0.00 0.00 70.33 67.97 2klb n THR 124 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2klb h GLU 125 N 0.00 0.36 -0.79 -0.78 4.81 -2.00 0.40 114.58 116.58 2klb h GLU 125 Ca -0.34 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 58.95 2klb h GLU 125 Cb 1.06 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.29 2klb h GLU 125 CO 0.29 0.24 0.45 -0.91 -0.73 0.00 0.00 179.01 178.35 2klb h ASN 126 N 0.37 0.67 -0.71 1.04 4.21 -2.00 -0.69 115.58 118.46 2klb h ASN 126 Ca 0.57 0.04 -0.05 0.00 1.21 0.00 0.00 56.30 58.06 2klb h ASN 126 Cb 1.49 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 38.57 2klb h ASN 126 CO -0.25 0.40 0.24 0.74 -1.29 0.00 0.00 177.43 177.27 2klb h THR 127 N 0.79 1.26 -0.10 2.81 2.02 -1.25 -2.89 112.91 115.54 2klb h THR 127 Ca 0.37 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 2klb h THR 127 Cb 0.28 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2klb h THR 127 CO -0.22 0.34 0.06 1.88 0.37 0.00 0.00 175.52 177.95 2klb h TYR 128 N 1.04 0.14 -0.87 3.16 0.05 -1.17 -2.85 116.97 116.48 2klb h TYR 128 Ca 0.23 -0.00 0.13 0.00 0.05 0.00 0.00 58.73 59.13 2klb h TYR 128 Cb 0.28 -0.05 -0.09 0.00 1.01 0.00 0.00 36.73 37.89 2klb h TYR 128 CO 0.02 0.17 0.48 0.87 -1.05 0.00 0.00 178.16 178.66 2klb h LYS 129 N 0.07 0.71 -0.29 4.88 1.57 -1.03 0.88 116.57 123.36 2klb h LYS 129 Ca 0.04 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2klb h LYS 129 Cb 0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2klb h LYS 129 CO -0.01 0.47 0.16 -0.07 -0.57 0.00 0.00 179.45 179.44 2klb h LEU 130 N 0.74 0.25 -0.22 2.94 3.38 -1.41 -1.61 115.31 119.38 2klb h LEU 130 Ca 0.45 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.39 2klb h LEU 130 Cb 0.54 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2klb h LEU 130 CO -0.31 0.18 -0.01 0.00 0.09 0.00 0.00 178.44 178.40 2klb h GLU 132 N 0.14 0.15 0.01 0.00 5.08 -0.85 -3.14 114.58 115.97 2klb h GLU 132 Ca 0.06 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2klb h GLU 132 Cb 0.42 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2klb h GLU 132 CO 0.01 0.22 -0.00 1.49 -1.00 0.00 0.00 179.01 179.73 2klb h GLU 133 N 0.03 -0.01 -0.70 2.33 4.57 -1.33 -3.35 114.58 116.12 2klb h GLU 133 Ca 0.03 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.28 2klb h GLU 133 Cb 0.13 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 2klb h GLU 133 CO -0.00 0.80 0.46 0.00 -1.18 0.00 0.00 179.01 179.09 2klb h ALA 134 N -0.04 1.71 -0.68 2.92 0.00 -1.45 -2.59 119.26 119.13 2klb h ALA 134 Ca -0.00 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.00 2klb h ALA 134 Cb 0.82 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 2klb h ALA 134 CO 0.00 0.18 0.27 0.78 0.00 0.00 0.00 179.25 180.48 2klb h GLY 135 N 0.73 0.99 0.62 0.00 0.00 -1.67 -1.63 103.07 102.11 2klb h GLY 135 Ca 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 2klb h GLY 135 CO -0.10 -0.04 -0.15 -0.84 0.00 0.00 0.00 176.54 175.41 2klb h THR 136 N 0.44 0.65 -0.02 4.70 2.02 -1.63 0.65 112.91 119.72 2klb h THR 136 Ca 0.35 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.92 2klb h THR 136 Cb 0.47 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 2klb h THR 136 CO -0.34 0.12 -0.26 -0.78 0.37 0.00 0.00 175.52 174.63 2klb h ASP 137 N -0.81 -0.77 -0.50 4.18 3.58 -1.51 -0.27 116.42 120.31 2klb h ASP 137 Ca -0.04 0.11 -0.12 0.00 0.42 0.00 0.00 57.03 57.39 2klb h ASP 137 Cb 0.52 0.32 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 2klb h ASP 137 CO 0.07 -0.32 -0.17 -0.07 -2.88 0.00 0.00 179.24 175.87 2klb h LEU 138 N -0.38 1.02 -0.39 2.28 -0.00 -1.40 -3.10 115.31 113.34 2klb h LEU 138 Ca 0.07 -0.38 0.05 0.00 -0.00 0.00 0.00 57.88 57.62 2klb h LEU 138 Cb 0.48 -0.28 -0.05 0.00 -0.00 0.00 0.00 40.66 40.81 2klb h LEU 138 CO -0.24 1.16 0.11 1.23 -0.00 0.00 0.00 178.44 180.70 2klb h GLY 139 N 0.86 0.48 2.00 0.83 0.00 -0.46 -0.30 103.07 106.48 2klb h GLY 139 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2klb h GLY 139 CO 0.06 -0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.54 2klb n GLN 140 N -5.05 0.18 -0.09 4.80 6.02 -0.15 -2.62 117.38 120.46 2klb n GLN 140 Ca 0.02 0.52 -0.16 0.00 -0.01 0.00 0.00 57.00 57.37 2klb n GLN 140 Cb 0.16 -1.92 -0.08 0.00 1.02 0.00 0.00 30.24 29.42 2klb n GLN 140 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 2klb n TRP 141 N -2.27 0.93 -0.34 1.08 -0.00 -0.45 -3.66 117.44 112.73 2klb n TRP 141 Ca 0.01 0.40 0.06 0.00 -0.00 0.00 0.00 57.50 57.97 2klb n TRP 141 Cb 0.15 -0.97 0.22 0.00 -0.00 0.00 0.00 31.31 30.72 2klb n TRP 141 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2klb h VAL 142 N -1.00 0.89 -0.24 5.87 2.07 -1.04 -0.11 116.25 122.69 2klb h VAL 142 Ca -0.23 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 2klb h VAL 142 Cb 1.03 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2klb h VAL 142 CO -0.14 0.17 -0.23 0.00 0.02 0.00 0.00 177.57 177.39 2klb h THR 143 N 0.91 1.31 -0.69 2.57 1.03 -1.72 -3.24 112.91 113.08 2klb h THR 143 Ca 0.47 -1.39 -0.06 0.00 -0.01 0.00 0.00 66.41 65.43 2klb h THR 143 Cb 0.49 1.66 -0.03 0.00 -1.07 0.00 0.00 68.15 69.20 2klb h THR 143 CO -0.27 0.43 0.21 -0.09 -0.01 0.00 0.00 175.52 175.79 2klb h ARG 144 N 0.29 1.06 -0.65 0.00 2.43 -1.38 0.15 114.38 116.29 2klb h ARG 144 Ca 0.04 -0.22 0.09 0.00 -0.81 0.00 0.00 59.98 59.08 2klb h ARG 144 Cb 0.78 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.10 2klb h ARG 144 CO 0.06 0.91 0.28 0.22 -1.51 0.00 0.00 179.97 179.93 2klb h ASP 145 N 1.02 0.34 0.65 -3.80 3.58 -1.11 -2.84 116.42 114.26 2klb h ASP 145 Ca 0.22 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.68 2klb h ASP 145 Cb 0.29 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2klb h ASP 145 CO -0.01 0.20 -1.40 0.54 -2.88 0.00 0.00 179.24 175.69 2klb n ARG 146 N -4.93 0.63 -0.03 0.28 1.74 -1.03 -4.06 116.66 109.26 2klb n ARG 146 Ca 0.09 0.07 -0.02 0.00 -0.77 0.00 0.00 57.85 57.22 2klb n ARG 146 Cb 0.27 -1.74 0.23 0.00 -1.02 0.00 0.00 32.46 30.19 2klb n ARG 146 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2klb h LEU 147 N 0.00 0.58 0.00 0.55 7.12 -0.52 -2.63 115.31 120.41 2klb h LEU 147 Ca -0.07 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.80 2klb h LEU 147 Cb 1.21 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.19 2klb h LEU 147 CO 0.01 0.69 0.00 1.21 -0.13 0.00 0.00 178.44 180.23 2klb n GLU 148 N -4.22 0.00 -0.07 1.25 2.13 -1.09 -3.99 120.64 114.66 2klb n GLU 148 Ca 0.01 0.62 -0.09 0.00 0.66 0.00 0.00 57.16 58.36 2klb n GLU 148 Cb 0.31 -1.37 -0.07 0.00 0.27 0.00 0.00 31.44 30.57 2klb n GLU 148 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2klb n HIS 149 N -2.06 0.00 -0.20 4.31 -0.00 -1.25 -4.64 115.22 111.39 2klb n HIS 149 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 2klb n HIS 149 Cb 0.00 -0.56 0.17 0.00 -0.00 0.00 0.00 29.99 29.60 2klb n HIS 149 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2klb h HIS 150 N 0.00 0.98 -5.99 1.57 2.76 -1.72 -3.47 115.15 109.27 2klb h HIS 150 Ca -0.32 -0.06 -0.27 0.00 -2.20 0.00 0.00 60.37 57.52 2klb h HIS 150 Cb 1.55 -0.30 0.04 0.00 1.55 0.00 0.00 27.41 30.25 2klb h HIS 150 CO 0.01 0.74 -0.63 0.72 -1.30 0.00 0.00 177.93 177.48 2klb n HIS 151 N -4.31 -2.38 0.00 5.26 8.25 -1.02 -4.30 115.22 116.72 2klb n HIS 151 Ca 0.06 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.35 2klb n HIS 151 Cb 0.17 -3.57 0.00 0.00 1.12 0.00 0.00 29.99 27.71 2klb n HIS 151 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2klb n HIS 152 N -2.83 0.00 -2.25 4.41 -0.00 -1.26 -4.91 115.22 108.38 2klb n HIS 152 Ca -0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.06 2klb n HIS 152 Cb 0.59 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 2klb n HIS 152 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2klb n HIS 153 N 0.00 -1.07 -1.10 1.57 8.25 -1.26 -5.14 115.22 116.47 2klb n HIS 153 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2klb n HIS 153 Cb 0.00 0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.23 2klb n HIS 153 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70