#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 -9.68 -2.98 -1.33 -0.00 -1.24 -3.53 119.36 100.60 2klb n ILE 2 Ca 0.00 2.11 -0.42 0.00 -0.00 0.00 0.00 62.75 64.44 2klb n ILE 2 Cb 0.00 -5.12 -0.05 0.00 -0.00 0.00 0.00 39.64 34.47 2klb n ILE 2 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 2klb s GLY 3 N -0.40 1.66 -0.55 7.39 0.00 -0.53 -1.43 107.32 113.45 2klb s GLY 3 Ca -0.01 -0.74 -0.22 0.00 0.00 0.00 0.00 44.72 43.75 2klb s GLY 3 CO 0.03 1.73 0.81 0.14 0.00 0.00 0.00 173.10 175.81 2klb s VAL 4 N 3.08 4.59 -0.40 1.40 1.01 0.41 -0.67 120.40 129.82 2klb s VAL 4 Ca 0.30 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 2klb s VAL 4 Cb -0.13 -4.46 0.01 0.00 0.00 0.00 0.00 36.38 31.80 2klb s VAL 4 CO 0.17 -1.03 0.44 -0.36 0.00 0.00 0.00 175.10 174.33 2klb s PHE 5 N 3.39 3.17 0.44 5.22 0.08 0.12 -0.70 117.98 129.70 2klb s PHE 5 Ca 0.23 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 57.08 2klb s PHE 5 Cb -0.16 -2.87 -0.02 0.00 -0.57 0.00 0.00 43.02 39.40 2klb s PHE 5 CO 0.15 -0.64 0.11 1.52 -0.10 0.00 0.00 175.22 176.26 2klb s TYR 6 N 2.17 1.80 -0.14 0.36 1.13 -0.34 -2.95 117.35 119.38 2klb s TYR 6 Ca 0.13 -1.23 -0.02 0.00 -1.41 0.00 0.00 57.07 54.54 2klb s TYR 6 Cb -0.17 -1.25 0.04 0.00 -1.10 0.00 0.00 41.96 39.48 2klb s TYR 6 CO 0.13 -0.20 0.01 0.08 -2.51 0.00 0.00 175.55 173.07 2klb s VAL 7 N -3.13 0.51 -1.15 -3.49 1.01 -1.26 -1.14 120.40 111.76 2klb s VAL 7 Ca 0.19 -0.28 0.21 0.00 0.00 0.00 0.00 61.98 62.10 2klb s VAL 7 Cb 0.02 -0.85 0.24 0.00 0.00 0.00 0.00 36.38 35.79 2klb s VAL 7 CO 0.12 0.02 1.68 -1.20 0.00 0.00 0.00 175.10 175.72 2klb n SER 8 N 5.08 0.00 -0.12 3.32 7.64 -1.26 -3.44 113.62 124.83 2klb n SER 8 Ca -0.08 0.32 -0.26 0.00 1.01 0.00 0.00 58.87 59.85 2klb n SER 8 Cb 0.48 -0.43 -0.10 0.00 -1.01 0.00 0.00 64.21 63.16 2klb n SER 8 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2klb n GLU 9 N -1.43 0.58 -4.09 1.43 2.13 -1.26 -4.98 120.64 113.02 2klb n GLU 9 Ca 0.07 0.38 -0.36 0.00 0.66 0.00 0.00 57.16 57.91 2klb n GLU 9 Cb 0.22 -1.58 -0.08 0.00 0.27 0.00 0.00 31.44 30.27 2klb n GLU 9 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2klb s TYR 10 N -2.47 3.39 0.00 4.31 5.04 -1.25 -5.02 117.35 121.35 2klb s TYR 10 Ca -0.35 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.63 2klb s TYR 10 Cb 0.11 -1.90 0.00 0.00 0.35 0.00 0.00 41.96 40.53 2klb s TYR 10 CO 0.52 0.57 0.00 0.41 -1.34 0.00 0.00 175.55 175.70 2klb n GLY 11 N 2.22 0.16 1.26 8.97 0.00 -1.26 -4.10 105.19 112.44 2klb n GLY 11 Ca -0.19 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.69 0.77 -0.33 1.61 4.01 -1.26 -4.62 117.16 116.64 2klb n TYR 12 Ca 0.00 -0.39 0.13 0.00 -0.16 0.00 0.00 57.90 57.48 2klb n TYR 12 Cb 0.00 -0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.29 2klb n TYR 12 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2klb h SER 13 N 4.36 -0.46 -0.70 7.72 4.64 -1.78 0.73 113.55 128.06 2klb h SER 13 Ca 0.00 0.27 0.08 0.00 -0.47 0.00 0.00 61.79 61.66 2klb h SER 13 Cb 0.99 0.46 -0.06 0.00 -0.31 0.00 0.00 62.40 63.48 2klb h SER 13 CO 0.00 -0.32 0.37 -0.78 -0.87 0.00 0.00 176.83 175.23 2klb h ASP 14 N 0.03 0.52 0.04 4.97 3.58 -1.81 0.25 116.42 123.99 2klb h ASP 14 Ca 0.57 0.05 -0.14 0.00 0.42 0.00 0.00 57.03 57.92 2klb h ASP 14 Cb 1.13 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.12 2klb h ASP 14 CO -0.88 0.31 -0.47 0.03 -2.88 0.00 0.00 179.24 175.35 2klb h ARG 15 N 0.65 0.51 -0.45 0.28 2.47 -0.02 -2.83 114.38 115.00 2klb h ARG 15 Ca 0.33 -0.28 -0.12 0.00 -1.26 0.00 0.00 59.98 58.65 2klb h ARG 15 Cb 0.28 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 2klb h ARG 15 CO -0.23 0.87 -0.20 -0.07 0.56 0.00 0.00 179.97 180.90 2klb h LEU 16 N 0.41 0.91 -1.38 3.04 3.38 -0.19 -2.92 115.31 118.56 2klb h LEU 16 Ca 0.02 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.69 2klb h LEU 16 Cb 0.98 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 2klb h LEU 16 CO 0.09 1.08 0.44 0.00 0.09 0.00 0.00 178.44 180.13 2klb h ALA 17 N 0.99 1.59 -0.74 1.53 0.00 -0.38 -1.11 119.26 121.15 2klb h ALA 17 Ca 0.11 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2klb h ALA 17 Cb 0.74 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2klb h ALA 17 CO 0.06 0.35 0.47 0.37 0.00 0.00 0.00 179.25 180.50 2klb h GLN 18 N 0.83 0.90 -0.62 0.00 4.15 -1.31 0.01 115.11 119.08 2klb h GLN 18 Ca 0.26 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.54 2klb h GLN 18 Cb 0.01 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 2klb h GLN 18 CO -0.07 0.59 0.07 0.00 -1.93 0.00 0.00 178.83 177.50 2klb h ALA 19 N 1.30 0.95 0.82 3.38 0.00 -1.22 -0.50 119.26 123.99 2klb h ALA 19 Ca 0.29 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2klb h ALA 19 Cb -0.01 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.55 2klb h ALA 19 CO -0.10 0.65 -0.40 0.82 0.00 0.00 0.00 179.25 180.22 2klb h ILE 20 N 0.96 0.16 -0.75 0.00 2.04 -0.70 -1.86 117.51 117.36 2klb h ILE 20 Ca 0.19 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 66.02 2klb h ILE 20 Cb 0.46 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 2klb h ILE 20 CO 0.02 0.00 0.49 -0.29 0.00 0.00 0.00 178.15 178.38 2klb h ILE 21 N -1.16 1.13 0.16 -0.67 2.10 -1.03 -1.39 117.51 116.66 2klb h ILE 21 Ca -0.11 -0.32 0.02 0.00 1.08 0.00 0.00 64.86 65.52 2klb h ILE 21 Cb 0.86 0.11 -0.04 0.00 -1.09 0.00 0.00 36.82 36.66 2klb h ILE 21 CO 0.19 0.17 -0.38 -1.13 -1.08 0.00 0.00 178.15 175.92 2klb h ASN 22 N 0.94 -1.10 -0.30 2.19 -0.73 -0.97 -1.31 115.58 114.31 2klb h ASN 22 Ca 0.29 0.12 -0.05 0.00 1.87 0.00 0.00 56.30 58.54 2klb h ASN 22 Cb 0.01 0.41 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 2klb h ASN 22 CO -0.08 -0.47 0.00 1.23 -0.37 0.00 0.00 177.43 177.75 2klb h GLY 23 N -0.63 0.56 0.85 1.57 0.00 -0.95 -2.20 103.07 102.27 2klb h GLY 23 Ca 0.02 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 2klb h GLY 23 CO -0.20 0.38 0.00 -2.22 0.00 0.00 0.00 176.54 174.50 2klb h ILE 24 N 0.32 1.26 -0.50 2.60 2.04 -1.24 -0.35 117.51 121.64 2klb h ILE 24 Ca 0.08 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 2klb h ILE 24 Cb 0.43 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2klb h ILE 24 CO 0.01 0.28 0.08 0.71 0.00 0.00 0.00 178.15 179.24 2klb h THR 25 N 0.21 1.25 -0.51 -0.27 1.35 -1.02 -0.79 112.91 113.12 2klb h THR 25 Ca 0.07 -0.93 0.10 0.00 -0.55 0.00 0.00 66.41 65.10 2klb h THR 25 Cb 0.41 0.89 -0.03 0.00 -1.73 0.00 0.00 68.15 67.70 2klb h THR 25 CO 0.01 0.33 0.35 0.50 -0.25 0.00 0.00 175.52 176.47 2klb h LYS 26 N 0.70 0.26 -0.08 4.72 3.11 -1.29 0.46 116.57 124.45 2klb h LYS 26 Ca 0.15 -0.02 -0.15 0.00 -2.81 0.00 0.00 60.65 57.83 2klb h LYS 26 Cb 0.40 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 2klb h LYS 26 CO 0.01 0.17 -0.61 1.15 -2.81 0.00 0.00 179.45 177.37 2klb h THR 27 N 0.27 1.38 0.00 1.00 2.02 -0.20 -3.48 112.91 113.90 2klb h THR 27 Ca 0.24 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.44 2klb h THR 27 Cb 0.59 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 2klb h THR 27 CO -0.05 0.59 0.00 0.61 0.37 0.00 0.00 175.52 177.04 2klb n GLY 28 N 0.28 0.27 3.42 2.16 0.00 0.15 -5.10 105.19 106.38 2klb n GLY 28 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.15 3.32 -0.23 1.61 1.01 -0.57 -4.97 120.40 119.42 2klb s VAL 29 Ca 0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 2klb s VAL 29 Cb 0.00 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 2klb s VAL 29 CO 0.00 0.52 0.62 -0.83 0.00 0.00 0.00 175.10 175.41 2klb s GLY 30 N 0.26 1.91 0.34 4.51 0.00 -1.26 -2.71 107.32 110.37 2klb s GLY 30 Ca -0.07 -0.38 0.06 0.00 0.00 0.00 0.00 44.72 44.33 2klb s GLY 30 CO 0.05 1.37 0.48 -1.34 0.00 0.00 0.00 173.10 173.66 2klb s VAL 31 N 2.24 4.14 -0.34 1.40 -7.23 -1.23 -0.82 120.40 118.56 2klb s VAL 31 Ca 0.27 -0.95 -0.07 0.00 -1.81 0.00 0.00 61.98 59.42 2klb s VAL 31 Cb -0.16 -3.44 0.04 0.00 0.56 0.00 0.00 36.38 33.38 2klb s VAL 31 CO 0.09 -0.18 0.11 -1.81 -0.31 0.00 0.00 175.10 173.00 2klb s ASP 32 N -4.17 5.33 -0.41 4.85 1.11 -0.52 -4.72 116.67 118.15 2klb s ASP 32 Ca 0.45 -1.10 -0.27 0.00 0.18 0.00 0.00 52.55 51.80 2klb s ASP 32 Cb -0.10 -1.88 0.02 0.00 1.07 0.00 0.00 42.92 42.04 2klb s ASP 32 CO 0.32 -0.32 1.01 0.68 1.18 0.00 0.00 175.17 178.03 2klb s VAL 33 N 1.42 4.45 -0.09 -1.27 -7.23 -1.26 -0.44 120.40 115.97 2klb s VAL 33 Ca -0.01 1.21 0.03 0.00 -1.81 0.00 0.00 61.98 61.40 2klb s VAL 33 Cb -0.19 -4.44 0.01 0.00 0.56 0.00 0.00 36.38 32.31 2klb s VAL 33 CO 0.03 -0.71 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.23 2klb s VAL 34 N 3.83 1.69 -0.32 1.32 1.01 0.13 -4.97 120.40 123.08 2klb s VAL 34 Ca 0.42 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 2klb s VAL 34 Cb -0.10 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 2klb s VAL 34 CO 0.23 0.48 0.46 -0.62 0.00 0.00 0.00 175.10 175.65 2klb s ASP 35 N 0.54 6.29 0.00 3.32 -1.08 -1.26 -1.20 116.67 123.28 2klb s ASP 35 Ca -0.16 0.06 0.26 0.00 -0.52 0.00 0.00 52.55 52.20 2klb s ASP 35 Cb -0.17 -2.24 0.70 0.00 -1.46 0.00 0.00 42.92 39.74 2klb s ASP 35 CO 0.06 -0.37 1.53 0.00 0.52 0.00 0.00 175.17 176.91 2klb n LEU 36 N 5.57 0.70 0.05 -1.34 -0.00 -0.29 -3.86 117.00 117.83 2klb n LEU 36 Ca -0.06 -0.09 -0.02 0.00 -0.00 0.00 0.00 56.01 55.84 2klb n LEU 36 Cb 0.49 -0.20 -0.07 0.00 -0.00 0.00 0.00 43.42 43.64 2klb n LEU 36 CO 0.42 0.15 -0.09 1.23 -0.00 0.00 0.00 177.39 179.09 2klb h GLY 37 N 4.97 0.00 -1.73 1.47 0.00 -1.93 -3.46 103.07 102.39 2klb h GLY 37 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 2klb h GLY 37 CO 0.00 0.00 0.16 0.00 0.00 0.00 0.00 176.54 176.70 2klb s ALA 38 N -2.86 3.33 -0.63 3.60 0.00 -1.25 -4.97 121.76 118.98 2klb s ALA 38 Ca -0.01 -0.60 -0.26 0.00 0.00 0.00 0.00 51.96 51.09 2klb s ALA 38 Cb 0.08 -2.62 -0.08 0.00 0.00 0.00 0.00 23.12 20.50 2klb s ALA 38 CO 0.80 -0.63 2.28 0.00 0.00 0.00 0.00 175.76 178.20 2klb s ALA 39 N -2.91 1.46 0.44 0.00 0.00 -1.26 -4.95 121.76 114.54 2klb s ALA 39 Ca 0.52 -0.46 -0.21 0.00 0.00 0.00 0.00 51.96 51.81 2klb s ALA 39 Cb -0.10 -4.42 -0.11 0.00 0.00 0.00 0.00 23.12 18.49 2klb s ALA 39 CO 0.46 -4.81 0.97 0.14 0.00 0.00 0.00 175.76 172.51 2klb s VAL 40 N 12.22 4.28 0.46 0.00 -7.23 -1.26 -5.09 120.40 123.79 2klb s VAL 40 Ca 0.89 1.42 0.07 0.00 -1.81 0.00 0.00 61.98 62.55 2klb s VAL 40 Cb -0.14 -3.57 0.00 0.00 0.56 0.00 0.00 36.38 33.23 2klb s VAL 40 CO 0.18 -0.31 0.41 -0.62 -0.31 0.00 0.00 175.10 174.45 2klb s ASP 41 N -2.15 4.91 0.66 4.85 2.15 -1.26 -5.00 116.67 120.83 2klb s ASP 41 Ca 0.63 -0.91 0.43 0.00 0.43 0.00 0.00 52.55 53.13 2klb s ASP 41 Cb -0.10 -0.22 2.36 0.00 -0.30 0.00 0.00 42.92 44.65 2klb s ASP 41 CO 0.14 -0.83 2.35 -0.07 -0.17 0.00 0.00 175.17 176.60 2klb h LEU 42 N 0.90 0.00 0.26 -1.34 -0.00 -1.99 -1.97 115.31 111.17 2klb h LEU 42 Ca -0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.48 2klb h LEU 42 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 2klb h LEU 42 CO 0.56 0.00 -0.12 1.56 -0.00 0.00 0.00 178.44 180.44 2klb h GLN 43 N 0.00 -0.33 -0.94 1.13 1.08 -1.98 0.42 115.11 114.50 2klb h GLN 43 Ca 0.00 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.26 2klb h GLN 43 Cb 0.02 0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.47 2klb h GLN 43 CO -0.00 -0.15 0.61 0.93 -0.95 0.00 0.00 178.83 179.27 2klb h GLU 44 N -0.45 1.14 -0.67 1.46 3.07 -1.75 0.34 114.58 117.72 2klb h GLU 44 Ca -0.04 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 2klb h GLU 44 Cb 0.34 -0.26 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 2klb h GLU 44 CO 0.06 0.75 0.11 1.25 -1.40 0.00 0.00 179.01 179.79 2klb h LEU 45 N 1.17 1.06 -0.93 1.33 7.12 -1.40 -0.90 115.31 122.78 2klb h LEU 45 Ca 0.37 -0.25 0.02 0.00 0.13 0.00 0.00 57.88 58.15 2klb h LEU 45 Cb 0.01 -0.28 -0.05 0.00 -0.53 0.00 0.00 40.66 39.81 2klb h LEU 45 CO -0.12 1.05 0.61 -0.09 -0.13 0.00 0.00 178.44 179.75 2klb h ARG 46 N 1.04 1.18 -0.23 1.25 2.43 0.94 -0.50 114.38 120.49 2klb h ARG 46 Ca 0.21 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.17 2klb h ARG 46 Cb 0.44 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2klb h ARG 46 CO 0.01 0.78 -0.43 0.93 -1.51 0.00 0.00 179.97 179.75 2klb h GLU 47 N 1.22 0.58 -0.38 0.20 4.39 -0.74 -3.00 114.58 116.83 2klb h GLU 47 Ca 0.35 -0.31 0.03 0.00 0.34 0.00 0.00 59.36 59.78 2klb h GLU 47 Cb -0.08 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 2klb h GLU 47 CO -0.09 0.90 0.17 1.25 -1.16 0.00 0.00 179.01 180.08 2klb h LEU 48 N 0.47 0.23 -1.30 1.33 6.46 -0.29 -0.96 115.31 121.25 2klb h LEU 48 Ca 0.03 0.03 0.12 0.00 -0.12 0.00 0.00 57.88 57.94 2klb h LEU 48 Cb 0.95 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.80 2klb h LEU 48 CO 0.08 0.17 0.56 0.58 -0.62 0.00 0.00 178.44 179.21 2klb h VAL 49 N 0.36 0.89 0.15 1.05 2.07 -1.04 0.14 116.25 119.87 2klb h VAL 49 Ca 0.17 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2klb h VAL 49 Cb 0.10 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2klb h VAL 49 CO -0.14 0.13 -0.07 1.23 0.02 0.00 0.00 177.57 178.74 2klb h GLY 50 N 0.73 -0.22 0.22 2.17 0.00 -1.22 -3.25 103.07 101.49 2klb h GLY 50 Ca 0.42 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2klb h GLY 50 CO -0.18 -0.08 0.00 0.54 0.00 0.00 0.00 176.54 176.82 2klb n ARG 51 N -4.96 1.09 0.02 4.80 3.00 -0.44 -4.39 116.66 115.79 2klb n ARG 51 Ca -0.08 -0.14 0.22 0.00 -0.01 0.00 0.00 57.85 57.83 2klb n ARG 51 Cb 0.26 -1.22 0.63 0.00 0.00 0.00 0.00 32.46 32.14 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 0.74 -2.57 0.00 1.35 -1.87 -3.43 112.91 107.13 2klb h THR 53 Ca 0.27 -0.88 -0.10 0.00 -0.55 0.00 0.00 66.41 65.15 2klb h THR 53 Cb 1.68 1.54 -0.24 0.00 -1.73 0.00 0.00 68.15 69.40 2klb h THR 53 CO -0.00 0.21 -0.19 -0.83 -0.25 0.00 0.00 175.52 174.46 2klb s GLY 54 N -4.25 -0.36 0.25 5.82 0.00 0.22 -1.19 107.32 107.81 2klb s GLY 54 Ca -0.02 1.44 -0.21 0.00 0.00 0.00 0.00 44.72 45.93 2klb s GLY 54 CO 0.63 1.35 0.85 0.48 0.00 0.00 0.00 173.10 176.41 2klb s LEU 55 N 0.61 -0.15 -0.15 0.66 0.05 -0.26 -1.46 118.68 117.98 2klb s LEU 55 Ca -0.03 -0.66 -0.06 0.00 0.05 0.00 0.00 54.13 53.43 2klb s LEU 55 Cb -0.05 2.49 0.06 0.00 -2.05 0.00 0.00 46.19 46.65 2klb s LEU 55 CO -0.04 -1.23 0.33 0.54 -0.55 0.00 0.00 176.35 175.40 2klb s VAL 56 N -3.18 -0.29 0.05 1.48 0.11 0.15 0.00 120.40 118.73 2klb s VAL 56 Ca 0.14 0.18 0.08 0.00 -2.93 0.00 0.00 61.98 59.45 2klb s VAL 56 Cb -0.04 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 2klb s VAL 56 CO 0.06 0.08 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.07 2klb s ILE 57 N 1.96 2.62 0.00 7.04 1.09 -0.49 -0.71 121.20 132.71 2klb s ILE 57 Ca -0.04 -1.27 0.00 0.00 -1.10 0.00 0.00 60.65 58.24 2klb s ILE 57 Cb -0.11 -2.09 0.00 0.00 -1.06 0.00 0.00 42.46 39.20 2klb s ILE 57 CO -0.10 0.33 0.00 0.61 -0.10 0.00 0.00 174.94 175.67 2klb n GLY 58 N 1.55 1.54 3.57 6.18 0.00 -1.15 -1.56 105.19 115.32 2klb n GLY 58 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 2klb n GLY 58 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2klb s MET 59 N -0.00 0.47 -0.24 1.61 0.23 -1.26 -4.08 119.30 116.02 2klb s MET 59 Ca 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 55.69 54.53 2klb s MET 59 Cb 0.00 0.22 0.04 0.00 -1.53 0.00 0.00 34.83 33.55 2klb s MET 59 CO 0.00 -0.20 -0.10 -1.54 -2.03 0.00 0.00 175.02 171.15 2klb s SER 60 N -2.10 4.13 0.65 -1.18 1.04 -1.26 -4.93 113.70 110.05 2klb s SER 60 Ca 0.07 -1.00 -0.11 0.00 0.48 0.00 0.00 55.95 55.39 2klb s SER 60 Cb -0.01 -1.59 -0.02 0.00 0.10 0.00 0.00 66.02 64.49 2klb s SER 60 CO -0.05 -0.13 1.04 -2.16 0.98 0.00 0.00 173.24 172.92 2klb s PRO 61 N 1.25 3.37 0.50 4.02 0.04 -1.26 -4.10 135.00 138.82 2klb s PRO 61 Ca -0.02 0.78 0.28 0.00 0.04 0.00 0.00 61.00 62.08 2klb s PRO 61 Cb -0.17 -2.05 1.38 0.00 0.04 0.00 0.00 34.50 33.69 2klb s PRO 61 CO -0.06 -0.75 1.88 0.00 0.04 0.00 0.00 177.00 178.11 2klb h ALA 62 N -0.45 2.67 -0.73 8.56 0.00 -1.87 0.26 119.26 127.70 2klb h ALA 62 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2klb h ALA 62 Cb 1.20 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2klb h ALA 62 CO 0.61 -0.94 0.47 0.00 0.00 0.00 0.00 179.25 179.38 2klb h ALA 63 N 1.57 0.93 0.00 0.00 0.00 -1.95 -3.08 119.26 116.73 2klb h ALA 63 Ca 0.44 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 2klb h ALA 63 Cb 1.58 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2klb h ALA 63 CO -0.06 0.37 -1.14 0.45 0.00 0.00 0.00 179.25 178.87 2klb n SER 64 N -4.55 0.85 0.14 0.00 2.88 0.63 -4.23 113.62 109.34 2klb n SER 64 Ca 0.07 0.34 0.19 0.00 -1.33 0.00 0.00 58.87 58.14 2klb n SER 64 Cb 0.03 0.36 0.76 0.00 -0.75 0.00 0.00 64.21 64.61 2klb n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2klb h ALA 65 N 1.82 1.96 -0.43 -1.46 0.00 -0.63 -2.88 119.26 117.63 2klb h ALA 65 Ca -0.05 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2klb h ALA 65 Cb 1.18 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 2klb h ALA 65 CO 0.01 -0.59 -0.40 0.00 0.00 0.00 0.00 179.25 178.27 2klb h ALA 66 N 1.45 -0.34 0.07 0.00 0.00 -1.74 0.75 119.26 119.47 2klb h ALA 66 Ca 0.15 0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.86 2klb h ALA 66 Cb 1.00 0.85 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 2klb h ALA 66 CO -0.00 -0.82 -1.46 0.77 0.00 0.00 0.00 179.25 177.74 2klb h SER 67 N -0.29 0.24 0.31 0.00 0.02 -1.85 -3.36 113.55 108.62 2klb h SER 67 Ca 0.16 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2klb h SER 67 Cb 0.57 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2klb h SER 67 CO -0.59 1.28 -0.15 0.40 -1.14 0.00 0.00 176.83 176.64 2klb h ILE 68 N 0.04 0.70 -0.93 3.27 1.08 -1.35 -2.13 117.51 118.20 2klb h ILE 68 Ca -0.21 -0.09 0.11 0.00 -0.39 0.00 0.00 64.86 64.28 2klb h ILE 68 Cb 1.97 0.75 -0.07 0.00 -3.07 0.00 0.00 36.82 36.40 2klb h ILE 68 CO 0.14 0.02 0.60 1.56 -0.69 0.00 0.00 178.15 179.78 2klb h GLN 69 N -0.46 0.89 -0.22 2.37 1.08 -1.05 0.13 115.11 117.85 2klb h GLN 69 Ca -0.04 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2klb h GLN 69 Cb 0.35 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 2klb h GLN 69 CO 0.07 0.59 0.12 0.78 -0.95 0.00 0.00 178.83 179.44 2klb h GLY 70 N 0.92 0.29 0.96 3.46 0.00 -1.64 -1.33 103.07 105.73 2klb h GLY 70 Ca 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 2klb h GLY 70 CO -0.20 0.08 0.20 0.00 0.00 0.00 0.00 176.54 176.62 2klb h ALA 71 N 1.10 0.55 -0.69 3.60 0.00 -0.57 -2.73 119.26 120.52 2klb h ALA 71 Ca 0.09 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2klb h ALA 71 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2klb h ALA 71 CO -0.05 0.12 0.46 -0.07 0.00 0.00 0.00 179.25 179.71 2klb h LEU 72 N 0.55 0.56 -2.04 0.00 3.38 -0.61 0.73 115.31 117.87 2klb h LEU 72 Ca 0.15 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.24 2klb h LEU 72 Cb 0.13 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2klb h LEU 72 CO -0.02 0.34 0.37 0.28 0.09 0.00 0.00 178.44 179.51 2klb h SER 73 N 0.62 0.00 0.00 -0.43 0.02 -0.91 -1.10 113.55 111.76 2klb h SER 73 Ca 0.31 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.81 2klb h SER 73 Cb 0.40 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.88 2klb h SER 73 CO -0.10 0.00 -2.46 0.41 -1.14 0.00 0.00 176.83 173.54 2klb n THR 74 N -3.93 1.53 -0.11 -2.27 -1.04 -0.17 -4.57 114.28 103.72 2klb n THR 74 Ca 0.07 -0.37 -0.05 0.00 -2.04 0.00 0.00 64.05 61.66 2klb n THR 74 Cb 0.56 -1.87 0.02 0.00 -1.82 0.00 0.00 70.33 67.22 2klb n THR 74 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2klb h ILE 75 N -0.95 0.76 -0.80 12.58 2.04 -0.66 -0.43 117.51 130.05 2klb h ILE 75 Ca -0.68 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.23 2klb h ILE 75 Cb 1.61 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 2klb h ILE 75 CO -0.40 0.03 0.52 -0.07 0.00 0.00 0.00 178.15 178.23 2klb h LEU 76 N 0.14 0.67 0.00 1.44 3.38 -1.46 0.14 115.31 119.62 2klb h LEU 76 Ca 0.18 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2klb h LEU 76 Cb 0.24 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2klb h LEU 76 CO -0.28 0.40 -0.49 0.61 0.09 0.00 0.00 178.44 178.77 2klb n GLY 77 N -1.44 -1.37 1.16 0.83 0.00 -0.92 -3.93 105.19 99.52 2klb n GLY 77 Ca 0.13 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.01 2klb n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2klb n SER 78 N -1.82 3.48 -4.54 1.61 7.64 0.35 -5.00 113.62 115.34 2klb n SER 78 Ca 0.05 -1.99 -0.31 0.00 1.01 0.00 0.00 58.87 57.62 2klb n SER 78 Cb 0.39 -0.25 0.18 0.00 -1.01 0.00 0.00 64.21 63.52 2klb n SER 78 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2klb n VAL 79 N 1.50 0.00 -3.98 0.44 0.24 -0.33 -5.00 118.33 111.20 2klb n VAL 79 Ca 0.19 -0.17 -0.33 0.00 -2.04 0.00 0.00 64.34 62.00 2klb n VAL 79 Cb 0.61 -0.89 -0.14 0.00 -1.47 0.00 0.00 33.84 31.95 2klb n VAL 79 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2klb s ASN 80 N -2.40 4.75 0.00 -1.34 3.84 -1.26 -5.01 114.94 113.52 2klb s ASN 80 Ca 0.64 -1.58 0.00 0.00 0.21 0.00 0.00 52.86 52.13 2klb s ASN 80 Cb -0.22 -1.65 0.00 0.00 -0.55 0.00 0.00 41.25 38.83 2klb s ASN 80 CO 0.62 -0.29 0.00 1.21 -2.79 0.00 0.00 177.10 175.85 2klb n GLU 81 N 4.47 0.00 -2.69 0.43 2.13 -1.26 -1.81 120.64 121.91 2klb n GLU 81 Ca -0.09 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.67 2klb n GLU 81 Cb 0.42 0.00 0.12 0.00 0.27 0.00 0.00 31.44 32.25 2klb n GLU 81 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2klb n LYS 82 N 0.00 1.23 -0.61 5.31 2.85 -1.26 -4.81 118.16 120.87 2klb n LYS 82 Ca 0.00 -1.75 -0.28 0.00 -1.05 0.00 0.00 58.31 55.23 2klb n LYS 82 Cb 0.00 0.01 0.17 0.00 -0.65 0.00 0.00 35.03 34.56 2klb n LYS 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2klb n GLN 83 N -0.77 -1.94 -2.94 -1.58 0.00 -0.75 -2.22 117.38 107.18 2klb n GLN 83 Ca -0.06 -0.56 -0.43 0.00 0.00 0.00 0.00 57.00 55.95 2klb n GLN 83 Cb 0.85 -1.62 -0.05 0.00 0.00 0.00 0.00 30.24 29.42 2klb n GLN 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2klb s ALA 84 N -2.17 3.28 -0.25 2.61 0.00 -0.33 -2.17 121.76 122.72 2klb s ALA 84 Ca 0.50 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.39 2klb s ALA 84 Cb -0.09 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 2klb s ALA 84 CO 0.56 -1.97 0.06 0.14 0.00 0.00 0.00 175.76 174.54 2klb s VAL 85 N 3.38 4.11 0.29 0.00 -7.23 0.98 -1.10 120.40 120.83 2klb s VAL 85 Ca 0.30 -0.32 0.03 0.00 -1.81 0.00 0.00 61.98 60.18 2klb s VAL 85 Cb -0.12 -2.95 -0.03 0.00 0.56 0.00 0.00 36.38 33.84 2klb s VAL 85 CO 0.23 0.30 0.46 -0.83 -0.31 0.00 0.00 175.10 174.95 2klb s GLY 86 N 1.57 1.29 -0.07 2.32 0.00 0.10 -2.59 107.32 109.94 2klb s GLY 86 Ca 0.06 -1.06 -0.04 0.00 0.00 0.00 0.00 44.72 43.68 2klb s GLY 86 CO 0.02 -1.03 0.17 -1.50 0.00 0.00 0.00 173.10 170.76 2klb s ILE 87 N -2.15 -0.04 -0.33 0.90 1.10 -1.26 -1.40 121.20 118.02 2klb s ILE 87 Ca 0.37 0.15 -0.01 0.00 -0.51 0.00 0.00 60.65 60.65 2klb s ILE 87 Cb -0.09 -0.27 0.13 0.00 0.15 0.00 0.00 42.46 42.37 2klb s ILE 87 CO 0.33 0.06 0.18 0.72 -2.11 0.00 0.00 174.94 174.12 2klb s PHE 88 N 1.05 0.56 -0.11 3.50 -0.71 -0.60 -4.94 117.98 116.74 2klb s PHE 88 Ca -0.08 -1.35 -0.29 0.00 -1.04 0.00 0.00 56.93 54.17 2klb s PHE 88 Cb -0.10 -0.90 -0.07 0.00 -1.21 0.00 0.00 43.02 40.75 2klb s PHE 88 CO -0.06 -0.83 2.10 -2.00 -1.34 0.00 0.00 175.22 173.09 2klb s GLU 89 N 1.43 3.58 -0.34 1.99 2.12 -1.26 -4.21 118.70 122.01 2klb s GLU 89 Ca 0.15 2.28 0.07 0.00 0.36 0.00 0.00 54.97 57.83 2klb s GLU 89 Cb -0.21 -4.28 0.56 0.00 0.26 0.00 0.00 34.13 30.47 2klb s GLU 89 CO -0.12 -1.60 1.61 -2.37 -0.54 0.00 0.00 175.26 172.25 2klb n THR 90 N 6.77 2.77 0.01 -1.70 5.66 -1.26 -4.67 114.28 121.86 2klb n THR 90 Ca 0.25 -2.47 0.00 0.00 -3.05 0.00 0.00 64.05 58.78 2klb n THR 90 Cb 0.43 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 2klb n THR 90 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2klb n GLY 91 N -1.11 -0.68 2.09 1.09 0.00 -1.26 -4.49 105.19 100.83 2klb n GLY 91 Ca 0.42 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.04 2.42 2.74 -0.02 0.00 -1.26 -3.44 105.19 104.59 2klb n GLY 92 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 4.80 3.69 -0.02 0.00 -1.26 -4.98 105.19 105.42 2klb n GLY 93 Ca 0.00 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.78 2klb n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2klb n ASP 94 N 3.65 0.91 -4.73 1.61 5.75 -1.26 -4.22 116.55 118.26 2klb n ASP 94 Ca 0.48 -1.89 -0.41 0.00 -0.01 0.00 0.00 54.79 52.96 2klb n ASP 94 Cb 0.33 -0.73 -0.04 0.00 -1.03 0.00 0.00 41.12 39.66 2klb n ASP 94 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2klb s ASP 95 N -5.12 7.24 0.35 -1.12 1.01 -1.26 -4.80 116.67 112.97 2klb s ASP 95 Ca 0.66 2.01 0.08 0.00 0.71 0.00 0.00 52.55 56.00 2klb s ASP 95 Cb -0.03 -2.59 0.78 0.00 1.01 0.00 0.00 42.92 42.08 2klb s ASP 95 CO 0.45 -0.28 1.87 -0.33 0.21 0.00 0.00 175.17 177.09 2klb h GLU 96 N 5.75 0.72 -1.76 8.23 5.08 -1.99 -2.04 114.58 128.57 2klb h GLU 96 Ca -0.43 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2klb h GLU 96 Cb 1.21 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2klb h GLU 96 CO 0.75 0.47 0.00 -0.35 -1.00 0.00 0.00 179.01 178.88 2klb n PRO 97 N -4.56 0.31 -0.12 2.33 -0.04 -1.26 -4.13 135.00 127.53 2klb n PRO 97 Ca 0.17 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.52 2klb n PRO 97 Cb 0.43 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.91 1.27 -0.44 0.52 6.09 -1.77 -3.26 117.51 120.82 2klb h ILE 98 Ca 0.00 -1.03 0.05 0.00 -1.37 0.00 0.00 64.86 62.52 2klb h ILE 98 Cb 0.31 1.24 -0.05 0.00 0.47 0.00 0.00 36.82 38.79 2klb h ILE 98 CO 0.00 0.34 0.16 0.44 -3.07 0.00 0.00 178.15 176.02 2klb h ASP 99 N 0.44 0.17 -1.11 2.19 5.19 -1.88 0.66 116.42 122.08 2klb h ASP 99 Ca 0.10 0.05 0.33 0.00 -0.62 0.00 0.00 57.03 56.88 2klb h ASP 99 Cb 0.50 0.03 -0.12 0.00 0.18 0.00 0.00 39.33 39.92 2klb h ASP 99 CO 0.02 0.13 0.69 -0.65 -3.12 0.00 0.00 179.24 176.32 2klb h PRO 100 N 0.33 0.29 0.07 3.56 0.11 -1.90 0.99 132.00 135.46 2klb h PRO 100 Ca 0.20 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.08 2klb h PRO 100 Cb 0.19 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 31.26 2klb h PRO 100 CO -0.21 0.19 -0.90 -0.07 -0.21 0.00 0.00 178.00 176.81 2klb h LEU 101 N 0.29 0.66 -1.75 2.35 4.07 -1.13 -3.28 115.31 116.52 2klb h LEU 101 Ca 0.70 -0.83 0.10 0.00 0.08 0.00 0.00 57.88 57.94 2klb h LEU 101 Cb 1.85 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 43.35 2klb h LEU 101 CO -0.43 1.42 0.36 -0.07 -1.08 0.00 0.00 178.44 178.64 2klb h LEU 102 N -0.01 0.25 -0.46 1.67 3.38 0.56 -0.43 115.31 120.27 2klb h LEU 102 Ca -0.13 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2klb h LEU 102 Cb 1.62 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.27 2klb h LEU 102 CO 0.17 0.15 0.16 -1.28 0.09 0.00 0.00 178.44 177.73 2klb h SER 103 N 0.28 0.16 0.11 -0.43 0.87 -0.93 0.58 113.55 114.19 2klb h SER 103 Ca 0.24 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2klb h SER 103 Cb 0.59 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2klb h SER 103 CO -0.05 0.12 -0.05 0.11 -0.53 0.00 0.00 176.83 176.42 2klb h LYS 104 N 0.33 -0.15 -0.53 2.24 1.79 -1.21 -0.58 116.57 118.46 2klb h LYS 104 Ca 0.22 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.71 2klb h LYS 104 Cb 0.23 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.88 2klb h LYS 104 CO -0.23 0.17 0.34 0.74 -1.08 0.00 0.00 179.45 179.39 2klb h PHE 105 N -0.47 0.64 0.12 -1.35 0.04 -1.26 -2.74 116.94 111.93 2klb h PHE 105 Ca -0.02 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 2klb h PHE 105 Cb 0.38 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.32 2klb h PHE 105 CO 0.03 0.39 -0.06 -0.09 -0.60 0.00 0.00 178.31 177.98 2klb h ARG 106 N 0.69 -0.15 -0.20 1.51 2.43 -0.92 -1.42 114.38 116.31 2klb h ARG 106 Ca 0.20 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2klb h ARG 106 Cb -0.05 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2klb h ARG 106 CO -0.06 -0.10 0.00 -0.91 -1.51 0.00 0.00 179.97 177.39 2klb h ASN 107 N -0.97 0.27 1.87 -3.80 2.35 -1.20 0.64 115.58 114.74 2klb h ASN 107 Ca -0.02 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 2klb h ASN 107 Cb 0.12 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 2klb h ASN 107 CO 0.03 0.32 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.02 2klb h LEU 108 N 0.29 0.00 -1.20 1.61 4.07 -1.63 -3.48 115.31 114.96 2klb h LEU 108 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2klb h LEU 108 Cb 0.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 2klb h LEU 108 CO 0.00 0.03 0.00 0.61 -1.08 0.00 0.00 178.44 178.01 2klb n GLY 109 N 1.01 0.73 3.73 0.83 0.00 0.22 -4.89 105.19 106.82 2klb n GLY 109 Ca 0.04 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.20 4.42 -0.68 0.99 1.02 -0.54 -4.80 118.68 117.89 2klb s LEU 110 Ca 0.00 2.34 -0.26 0.00 0.02 0.00 0.00 54.13 56.23 2klb s LEU 110 Cb 0.00 -3.61 -0.11 0.00 0.02 0.00 0.00 46.19 42.50 2klb s LEU 110 CO 0.00 -0.50 2.38 -0.89 0.02 0.00 0.00 176.35 177.35 2klb s THR 111 N 0.20 3.03 -0.12 5.49 2.01 -0.92 -4.88 115.64 120.45 2klb s THR 111 Ca 0.57 -0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.50 2klb s THR 111 Cb -0.35 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 2klb s THR 111 CO 0.37 -0.08 0.06 -0.89 -0.69 0.00 0.00 174.62 173.39 2klb s THR 112 N 13.54 4.83 0.05 -0.82 2.01 -1.26 -0.01 115.64 133.97 2klb s THR 112 Ca 0.93 -0.04 -0.21 0.00 0.31 0.00 0.00 61.69 62.68 2klb s THR 112 Cb -0.14 -3.10 -0.10 0.00 0.01 0.00 0.00 72.50 69.17 2klb s THR 112 CO 0.15 0.57 1.33 0.00 -0.69 0.00 0.00 174.62 175.97 2klb h ALA 113 N 5.55 -0.98 -0.86 7.40 0.00 -1.86 -3.44 119.26 125.08 2klb h ALA 113 Ca -0.48 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.37 2klb h ALA 113 Cb 1.20 0.55 -0.20 0.00 0.00 0.00 0.00 17.79 19.34 2klb h ALA 113 CO 0.60 -1.00 -0.32 0.12 0.00 0.00 0.00 179.25 178.65 2klb s PHE 114 N -4.67 -1.59 -0.20 0.00 5.36 -1.26 -5.06 117.98 110.54 2klb s PHE 114 Ca -0.10 0.83 -0.03 0.00 -0.96 0.00 0.00 56.93 56.66 2klb s PHE 114 Cb 0.03 0.28 -0.03 0.00 -0.34 0.00 0.00 43.02 42.95 2klb s PHE 114 CO 0.35 -0.95 2.81 -0.35 -1.46 0.00 0.00 175.22 175.62 2klb n PRO 115 N 5.20 1.94 -2.45 10.12 -0.04 -1.26 -4.11 135.00 144.40 2klb n PRO 115 Ca 0.06 -1.38 -0.01 0.00 -0.04 0.00 0.00 63.50 62.14 2klb n PRO 115 Cb 0.55 -1.82 0.06 0.00 -0.04 0.00 0.00 33.50 32.25 2klb n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2klb n ALA 116 N 1.43 2.74 -2.75 0.55 0.00 -1.26 -5.12 120.51 116.10 2klb n ALA 116 Ca 0.36 -2.04 -0.33 0.00 0.00 0.00 0.00 53.44 51.42 2klb n ALA 116 Cb 0.67 -0.80 -0.08 0.00 0.00 0.00 0.00 19.45 19.25 2klb n ALA 116 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2klb s ILE 117 N -1.86 4.58 -0.21 0.00 -4.36 -1.26 -5.10 121.20 112.99 2klb s ILE 117 Ca 0.21 -0.38 -0.02 0.00 -0.26 0.00 0.00 60.65 60.19 2klb s ILE 117 Cb 0.34 -3.05 0.07 0.00 1.25 0.00 0.00 42.46 41.07 2klb s ILE 117 CO -0.08 0.42 0.03 -0.13 0.24 0.00 0.00 174.94 175.42 2klb s ARG 118 N -1.51 0.76 -0.08 0.37 0.52 -1.26 -5.01 118.95 112.74 2klb s ARG 118 Ca 0.20 -0.56 -0.03 0.00 -0.52 0.00 0.00 55.73 54.82 2klb s ARG 118 Cb -0.12 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 2klb s ARG 118 CO 0.10 -0.68 0.06 0.42 0.02 0.00 0.00 175.30 175.22 2klb s ILE 119 N 1.78 4.74 0.71 1.52 -1.09 -1.26 -5.10 121.20 122.50 2klb s ILE 119 Ca -0.00 -0.14 -0.16 0.00 -2.23 0.00 0.00 60.65 58.12 2klb s ILE 119 Cb -0.17 -3.05 0.03 0.00 -1.58 0.00 0.00 42.46 37.68 2klb s ILE 119 CO -0.10 0.57 1.22 -0.75 -1.23 0.00 0.00 174.94 174.64 2klb s LYS 120 N -1.08 2.28 0.45 2.79 2.47 -1.26 -4.48 119.74 120.91 2klb s LYS 120 Ca 0.15 1.80 0.21 0.00 -1.56 0.00 0.00 55.97 56.57 2klb s LYS 120 Cb -0.12 -1.85 1.19 0.00 -1.46 0.00 0.00 37.83 35.60 2klb s LYS 120 CO 0.05 -1.74 1.86 0.37 0.16 0.00 0.00 175.35 176.05 2klb h GLN 121 N -0.08 0.28 -4.28 4.03 4.15 -1.92 -3.21 115.11 114.08 2klb h GLN 121 Ca -0.48 -0.02 -0.72 0.00 0.77 0.00 0.00 58.65 58.20 2klb h GLN 121 Cb 1.30 -0.06 -0.31 0.00 0.21 0.00 0.00 27.48 28.62 2klb h GLN 121 CO 0.51 0.19 -0.42 0.95 -1.93 0.00 0.00 178.83 178.13 2klb s THR 122 N -5.31 3.98 0.03 2.39 -4.23 -1.26 -4.08 115.64 107.16 2klb s THR 122 Ca -0.07 -1.95 -0.38 0.00 -1.18 0.00 0.00 61.69 58.10 2klb s THR 122 Cb 0.22 -3.64 -0.17 0.00 1.34 0.00 0.00 72.50 70.25 2klb s THR 122 CO 0.78 -0.77 1.34 -2.65 -0.54 0.00 0.00 174.62 172.78 2klb n PRO 123 N 4.71 0.95 -2.69 3.99 -0.02 -1.21 -5.00 135.00 135.73 2klb n PRO 123 Ca -0.05 0.34 -0.16 0.00 -2.02 0.00 0.00 63.50 61.61 2klb n PRO 123 Cb 0.41 -1.97 0.05 0.00 -0.02 0.00 0.00 33.50 31.98 2klb n PRO 123 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2klb n THR 124 N 2.59 0.00 0.19 3.45 -2.24 -1.26 -4.94 114.28 112.07 2klb n THR 124 Ca 0.20 -1.63 0.16 0.00 -2.27 0.00 0.00 64.05 60.50 2klb n THR 124 Cb 0.16 -0.57 0.78 0.00 -2.10 0.00 0.00 70.33 68.60 2klb n THR 124 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2klb h GLU 125 N 0.00 0.00 -0.87 -0.78 3.07 -2.01 0.37 114.58 114.36 2klb h GLU 125 Ca -0.23 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.65 2klb h GLU 125 Cb 1.05 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.91 2klb h GLU 125 CO 0.33 0.00 0.57 -0.91 -1.40 0.00 0.00 179.01 177.60 2klb h ASN 126 N 0.00 0.97 -0.48 1.42 4.21 -2.00 -2.49 115.58 117.22 2klb h ASN 126 Ca 0.09 -0.02 -0.05 0.00 1.21 0.00 0.00 56.30 57.54 2klb h ASN 126 Cb 0.44 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.38 2klb h ASN 126 CO -0.00 0.68 0.15 0.74 -1.29 0.00 0.00 177.43 177.71 2klb h THR 127 N 1.14 1.22 -0.55 2.81 2.02 -1.28 -0.61 112.91 117.65 2klb h THR 127 Ca 0.33 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 2klb h THR 127 Cb -0.06 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2klb h THR 127 CO -0.09 0.29 0.22 1.88 0.37 0.00 0.00 175.52 178.18 2klb h TYR 128 N 0.78 0.79 -0.36 3.16 -1.99 -1.42 -0.50 116.97 117.43 2klb h TYR 128 Ca 0.18 -0.04 -0.15 0.00 2.00 0.00 0.00 58.73 60.72 2klb h TYR 128 Cb 0.26 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 2klb h TYR 128 CO 0.02 0.61 -0.38 0.87 -0.00 0.00 0.00 178.16 179.27 2klb h LYS 129 N 0.78 0.86 0.40 4.88 1.57 -0.96 -2.08 116.57 122.02 2klb h LYS 129 Ca 0.19 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 2klb h LYS 129 Cb 0.15 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2klb h LYS 129 CO -0.02 1.09 -0.19 1.25 -0.57 0.00 0.00 179.45 181.00 2klb h LEU 130 N 0.70 -0.46 -1.02 2.94 6.46 -0.68 -1.77 115.31 121.48 2klb h LEU 130 Ca 0.06 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 2klb h LEU 130 Cb 0.96 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 2klb h LEU 130 CO 0.09 -0.20 0.33 0.00 -0.62 0.00 0.00 178.44 178.04 2klb h GLU 132 N 1.02 -0.81 0.56 0.00 4.81 -1.37 0.55 114.58 119.33 2klb h GLU 132 Ca 0.25 0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.51 2klb h GLU 132 Cb 0.12 0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.69 2klb h GLU 132 CO -0.03 -0.54 -0.27 1.49 -0.73 0.00 0.00 179.01 178.93 2klb h GLU 133 N -0.85 -0.72 -0.21 1.92 4.81 -1.11 -2.70 114.58 115.73 2klb h GLU 133 Ca -0.07 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2klb h GLU 133 Cb 0.68 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 2klb h GLU 133 CO 0.08 -0.41 0.12 0.00 -0.73 0.00 0.00 179.01 178.06 2klb h ALA 134 N -0.64 0.27 -0.69 2.92 0.00 -1.01 -3.05 119.26 117.05 2klb h ALA 134 Ca -0.08 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.89 2klb h ALA 134 Cb 0.64 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 2klb h ALA 134 CO 0.13 -0.21 0.30 0.78 0.00 0.00 0.00 179.25 180.25 2klb h GLY 135 N 0.24 1.02 0.59 0.00 0.00 -0.94 -0.99 103.07 103.00 2klb h GLY 135 Ca 0.07 -0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.33 2klb h GLY 135 CO -0.01 -0.01 0.56 -0.84 0.00 0.00 0.00 176.54 176.23 2klb h THR 136 N 0.49 0.97 -0.47 4.70 2.02 -1.37 -2.57 112.91 116.69 2klb h THR 136 Ca 0.36 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2klb h THR 136 Cb 0.45 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 2klb h THR 136 CO -0.32 0.17 0.30 -0.78 0.37 0.00 0.00 175.52 175.26 2klb h ASP 137 N 0.96 0.55 -0.83 4.18 3.58 -1.11 -0.96 116.42 122.78 2klb h ASP 137 Ca 0.43 -0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.92 2klb h ASP 137 Cb 0.32 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 41.17 2klb h ASP 137 CO -0.22 0.42 0.50 -0.07 -2.88 0.00 0.00 179.24 176.98 2klb h LEU 138 N 0.63 0.76 -0.14 2.28 -0.00 -1.21 -0.30 115.31 117.33 2klb h LEU 138 Ca 0.17 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 58.07 2klb h LEU 138 Cb -0.05 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 2klb h LEU 138 CO -0.03 0.47 0.06 1.23 -0.00 0.00 0.00 178.44 180.17 2klb h GLY 139 N 0.89 0.22 0.93 0.83 0.00 -1.14 -2.73 103.07 102.07 2klb h GLY 139 Ca 0.38 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.61 2klb h GLY 139 CO -0.20 0.10 0.19 1.46 0.00 0.00 0.00 176.54 178.10 2klb h GLN 140 N 0.09 0.39 -0.10 4.80 4.20 -0.73 -1.07 115.11 122.69 2klb h GLN 140 Ca 0.05 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.76 2klb h GLN 140 Cb 0.13 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 2klb h GLN 140 CO -0.01 0.26 -0.08 2.35 -0.67 0.00 0.00 178.83 180.68 2klb h TRP 141 N 0.40 -0.20 -0.21 2.96 7.01 -1.05 -1.18 115.95 123.69 2klb h TRP 141 Ca 0.13 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.06 2klb h TRP 141 Cb -0.00 0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.16 2klb h TRP 141 CO -0.07 -0.13 -0.21 0.28 -2.79 0.00 0.00 178.44 175.52 2klb h VAL 142 N -0.10 1.33 0.00 2.65 2.07 -1.41 -3.17 116.25 117.63 2klb h VAL 142 Ca 0.07 -1.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 2klb h VAL 142 Cb 0.19 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2klb h VAL 142 CO -0.15 0.42 -0.25 0.00 0.02 0.00 0.00 177.57 177.60 2klb h THR 143 N 0.19 1.03 0.57 2.57 1.03 -1.11 -2.49 112.91 114.69 2klb h THR 143 Ca 0.03 -0.91 -0.03 0.00 -0.01 0.00 0.00 66.41 65.49 2klb h THR 143 Cb 0.76 1.51 0.01 0.00 -1.07 0.00 0.00 68.15 69.36 2klb h THR 143 CO 0.05 0.25 -0.28 -0.09 -0.01 0.00 0.00 175.52 175.44 2klb h ARG 144 N 0.00 -0.74 0.00 0.00 2.43 -1.19 0.11 114.38 114.99 2klb h ARG 144 Ca -0.00 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2klb h ARG 144 Cb 0.49 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2klb h ARG 144 CO 0.03 -0.44 -0.02 0.22 -1.51 0.00 0.00 179.97 178.25 2klb h ASP 145 N -0.92 0.00 0.73 -3.80 3.58 -1.52 -0.49 116.42 114.00 2klb h ASP 145 Ca -0.08 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.20 2klb h ASP 145 Cb 0.64 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 2klb h ASP 145 CO 0.13 0.02 -0.80 0.03 -2.88 0.00 0.00 179.24 175.73 2klb h ARG 146 N 0.00 0.05 -0.39 0.28 -0.00 -1.31 0.16 114.38 113.18 2klb h ARG 146 Ca -0.00 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.98 59.37 2klb h ARG 146 Cb 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.00 2klb h ARG 146 CO 0.00 0.83 0.04 1.25 0.00 0.00 0.00 179.97 182.09 2klb h LEU 147 N 0.03 0.64 -0.37 3.04 7.12 0.79 -3.01 115.31 123.55 2klb h LEU 147 Ca -0.02 -0.28 -0.14 0.00 0.13 0.00 0.00 57.88 57.58 2klb h LEU 147 Cb 1.41 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 41.37 2klb h LEU 147 CO 0.11 0.76 -0.31 -0.33 -0.13 0.00 0.00 178.44 178.54 2klb h GLU 148 N 0.49 0.86 0.00 1.25 4.39 -1.30 -3.47 114.58 116.81 2klb h GLU 148 Ca 0.11 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2klb h GLU 148 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2klb h GLU 148 CO 0.01 1.08 0.00 1.58 -1.16 0.00 0.00 179.01 180.52 2klb n HIS 149 N -4.15 0.00 -1.39 4.33 -0.00 0.56 -4.01 115.22 110.56 2klb n HIS 149 Ca -0.02 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.11 2klb n HIS 149 Cb 0.50 0.00 0.20 0.00 -0.12 0.00 0.00 29.99 30.57 2klb n HIS 149 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2klb n HIS 150 N 0.00 1.23 -2.85 1.57 8.25 -1.26 -4.93 115.22 117.23 2klb n HIS 150 Ca 0.00 -1.55 -0.06 0.00 -0.26 0.00 0.00 57.72 55.85 2klb n HIS 150 Cb 0.00 -0.51 0.01 0.00 1.12 0.00 0.00 29.99 30.60 2klb n HIS 150 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2klb n HIS 151 N -1.06 -3.51 -2.47 4.41 -0.00 -1.26 -4.90 115.22 106.43 2klb n HIS 151 Ca 0.34 1.49 -0.43 0.00 -0.00 0.00 0.00 57.72 59.12 2klb n HIS 151 Cb 1.07 -3.78 -0.02 0.00 -0.00 0.00 0.00 29.99 27.26 2klb n HIS 151 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2klb s HIS 152 N -2.03 2.81 0.71 4.41 5.04 -1.26 -5.02 115.29 119.94 2klb s HIS 152 Ca 0.13 0.95 -0.07 0.00 -1.54 0.00 0.00 55.06 54.54 2klb s HIS 152 Cb -0.03 -3.83 0.15 0.00 0.04 0.00 0.00 32.58 28.91 2klb s HIS 152 CO 0.74 -1.49 0.97 0.72 -2.34 0.00 0.00 174.74 173.34 2klb n HIS 153 N 7.37 -3.47 -0.48 3.88 8.25 -1.26 -5.08 115.22 124.43 2klb n HIS 153 Ca 0.14 -1.26 0.00 0.00 -0.26 0.00 0.00 57.72 56.34 2klb n HIS 153 Cb 0.47 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 30.84 2klb n HIS 153 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56