#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klb s ILE 2 N 0.00 3.38 -0.90 0.44 -1.09 -0.76 -4.22 121.20 118.05 2klb s ILE 2 Ca 0.00 0.05 -0.25 0.00 -2.23 0.00 0.00 60.65 58.22 2klb s ILE 2 Cb 0.00 -3.96 0.04 0.00 -1.58 0.00 0.00 42.46 36.96 2klb s ILE 2 CO 0.00 -0.92 1.41 -0.83 -1.23 0.00 0.00 174.94 173.37 2klb s GLY 3 N 8.10 1.05 -0.43 6.18 0.00 -0.18 -0.42 107.32 121.61 2klb s GLY 3 Ca 0.68 -1.85 -0.21 0.00 0.00 0.00 0.00 44.72 43.34 2klb s GLY 3 CO 0.15 2.72 0.64 0.54 0.00 0.00 0.00 173.10 177.14 2klb s VAL 4 N 5.53 4.84 -0.62 1.40 0.11 -0.69 -1.72 120.40 129.26 2klb s VAL 4 Ca 0.43 0.12 -0.18 0.00 -2.93 0.00 0.00 61.98 59.42 2klb s VAL 4 Cb -0.04 -4.20 0.11 0.00 -1.53 0.00 0.00 36.38 30.73 2klb s VAL 4 CO 0.01 -0.58 0.71 -0.36 -3.33 0.00 0.00 175.10 171.55 2klb s PHE 5 N 2.80 3.05 0.41 1.54 0.40 -0.11 -0.96 117.98 125.12 2klb s PHE 5 Ca 0.22 -1.05 0.04 0.00 -0.60 0.00 0.00 56.93 55.54 2klb s PHE 5 Cb -0.14 -4.01 -0.01 0.00 0.51 0.00 0.00 43.02 39.37 2klb s PHE 5 CO 0.19 -1.28 0.14 2.48 0.70 0.00 0.00 175.22 177.45 2klb n TYR 6 N 6.17 0.18 -4.01 0.36 4.11 -0.39 -1.69 117.16 121.89 2klb n TYR 6 Ca -0.07 -2.62 -0.31 0.00 -0.00 0.00 0.00 57.90 54.90 2klb n TYR 6 Cb 0.43 -0.02 -0.15 0.00 -0.00 0.00 0.00 39.34 39.60 2klb n TYR 6 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2klb s VAL 7 N -3.07 1.97 -0.25 -3.48 1.01 -1.26 -0.77 120.40 114.55 2klb s VAL 7 Ca 0.20 -1.68 0.22 0.00 0.00 0.00 0.00 61.98 60.71 2klb s VAL 7 Cb 0.01 -2.22 0.25 0.00 0.00 0.00 0.00 36.38 34.42 2klb s VAL 7 CO 0.14 -0.20 1.62 0.28 0.00 0.00 0.00 175.10 176.93 2klb h SER 8 N 7.80 0.00 0.71 3.32 0.02 -1.92 -2.25 113.55 121.22 2klb h SER 8 Ca -0.15 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.58 2klb h SER 8 Cb 1.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 2klb h SER 8 CO 0.46 0.17 -1.02 -0.08 -1.14 0.00 0.00 176.83 175.23 2klb h GLU 9 N 0.00 0.17 -4.75 3.45 4.22 -1.93 -3.47 114.58 112.27 2klb h GLU 9 Ca -0.00 -0.23 -0.50 0.00 0.08 0.00 0.00 59.36 58.71 2klb h GLU 9 Cb 1.05 0.08 -0.32 0.00 0.50 0.00 0.00 28.75 30.05 2klb h GLU 9 CO 0.02 1.04 -0.81 -0.47 -2.18 0.00 0.00 179.01 176.61 2klb s TYR 10 N -2.92 1.36 0.00 0.92 5.04 -1.25 -5.11 117.35 115.40 2klb s TYR 10 Ca -0.02 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.18 2klb s TYR 10 Cb 0.09 -0.97 0.00 0.00 0.35 0.00 0.00 41.96 41.43 2klb s TYR 10 CO 0.84 -0.19 0.00 0.41 -1.34 0.00 0.00 175.55 175.27 2klb n GLY 11 N 3.49 0.46 0.06 8.97 0.00 -1.26 -3.65 105.19 113.27 2klb n GLY 11 Ca -0.20 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.39 0.01 -0.33 1.61 4.01 -1.26 -4.21 117.16 116.61 2klb n TYR 12 Ca 0.00 -0.01 0.20 0.00 -0.16 0.00 0.00 57.90 57.93 2klb n TYR 12 Cb 0.00 0.00 0.46 0.00 -0.31 0.00 0.00 39.34 39.49 2klb n TYR 12 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2klb h SER 13 N 0.28 0.54 0.68 7.72 0.87 -1.73 0.13 113.55 122.03 2klb h SER 13 Ca 0.00 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 2klb h SER 13 Cb 0.06 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2klb h SER 13 CO 0.00 0.12 -0.50 -0.78 -0.53 0.00 0.00 176.83 175.14 2klb h ASP 14 N 0.48 -1.30 0.63 6.23 1.82 -1.57 -2.71 116.42 119.99 2klb h ASP 14 Ca 0.60 0.09 -0.10 0.00 -0.39 0.00 0.00 57.03 57.22 2klb h ASP 14 Cb 1.34 0.40 -0.01 0.00 0.68 0.00 0.00 39.33 41.74 2klb h ASP 14 CO -0.34 -0.72 -0.47 0.03 -1.61 0.00 0.00 179.24 176.13 2klb h ARG 15 N -1.12 0.00 -0.64 0.28 2.47 -1.37 0.71 114.38 114.70 2klb h ARG 15 Ca -0.09 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.67 2klb h ARG 15 Cb 0.93 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.20 2klb h ARG 15 CO 0.04 0.47 0.39 -0.07 0.56 0.00 0.00 179.97 181.35 2klb h LEU 16 N 0.00 0.61 -0.03 3.04 3.38 -0.83 -1.55 115.31 119.93 2klb h LEU 16 Ca -0.00 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 2klb h LEU 16 Cb 0.91 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.55 2klb h LEU 16 CO 0.06 0.42 -0.55 0.00 0.09 0.00 0.00 178.44 178.46 2klb h ALA 17 N 1.30 0.11 -0.08 1.53 0.00 -1.11 -3.32 119.26 117.69 2klb h ALA 17 Ca 0.27 -0.54 0.04 0.00 0.00 0.00 0.00 54.91 54.68 2klb h ALA 17 Cb 0.07 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2klb h ALA 17 CO -0.13 0.34 -0.22 0.37 0.00 0.00 0.00 179.25 179.61 2klb h GLN 18 N -0.06 -0.30 -0.09 0.00 4.15 -0.73 0.10 115.11 118.18 2klb h GLN 18 Ca -0.06 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.41 2klb h GLN 18 Cb 1.24 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.99 2klb h GLN 18 CO 0.11 -0.20 0.11 0.00 -1.93 0.00 0.00 178.83 176.92 2klb h ALA 19 N 0.63 1.65 0.00 3.38 0.00 -1.43 -0.77 119.26 122.73 2klb h ALA 19 Ca 0.09 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2klb h ALA 19 Cb 0.43 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2klb h ALA 19 CO -0.26 -0.16 -0.53 0.82 0.00 0.00 0.00 179.25 179.12 2klb h ILE 20 N 0.00 0.29 -0.06 0.00 2.04 -1.39 -3.35 117.51 115.03 2klb h ILE 20 Ca 0.04 -1.32 0.02 0.00 1.00 0.00 0.00 64.86 64.61 2klb h ILE 20 Cb 0.27 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2klb h ILE 20 CO -0.00 0.10 0.06 0.16 0.00 0.00 0.00 178.15 178.46 2klb h ILE 21 N -1.00 0.69 -0.14 -0.67 -0.00 -0.70 -0.64 117.51 115.05 2klb h ILE 21 Ca -0.07 0.00 0.01 0.00 -0.00 0.00 0.00 64.86 64.80 2klb h ILE 21 Cb 0.60 0.96 -0.01 0.00 -0.00 0.00 0.00 36.82 38.37 2klb h ILE 21 CO -0.04 0.00 0.07 -1.13 -0.00 0.00 0.00 178.15 177.05 2klb h ASN 22 N 0.00 0.10 -0.07 2.16 -0.73 -1.32 -0.72 115.58 114.99 2klb h ASN 22 Ca 0.03 0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.12 2klb h ASN 22 Cb 0.14 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.70 2klb h ASN 22 CO -0.00 0.08 -0.19 1.23 -0.37 0.00 0.00 177.43 178.18 2klb h GLY 23 N 0.15 0.50 0.87 1.57 0.00 -1.28 0.25 103.07 105.12 2klb h GLY 23 Ca 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2klb h GLY 23 CO -0.04 0.34 -0.13 -2.22 0.00 0.00 0.00 176.54 174.49 2klb h ILE 24 N 0.42 0.76 -0.06 2.60 2.04 -1.03 0.83 117.51 123.08 2klb h ILE 24 Ca 0.07 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 2klb h ILE 24 Cb 0.57 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2klb h ILE 24 CO 0.04 0.06 -0.39 0.00 0.00 0.00 0.00 178.15 177.86 2klb h THR 25 N -0.50 1.29 -0.39 -0.27 1.03 -1.12 -1.90 112.91 111.05 2klb h THR 25 Ca -0.04 -1.40 -0.03 0.00 -0.01 0.00 0.00 66.41 64.93 2klb h THR 25 Cb 0.38 1.68 -0.02 0.00 -1.07 0.00 0.00 68.15 69.12 2klb h THR 25 CO 0.06 0.41 0.12 0.50 -0.01 0.00 0.00 175.52 176.61 2klb h LYS 26 N 0.10 0.56 -0.05 0.00 3.11 -0.78 -1.94 116.57 117.57 2klb h LYS 26 Ca 0.01 -0.08 -0.13 0.00 -2.81 0.00 0.00 60.65 57.64 2klb h LYS 26 Cb 0.73 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.85 2klb h LYS 26 CO 0.05 0.49 -0.57 1.15 -2.81 0.00 0.00 179.45 177.77 2klb h THR 27 N 0.55 1.38 0.00 1.00 2.02 -0.15 -3.47 112.91 114.25 2klb h THR 27 Ca 0.13 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 65.41 2klb h THR 27 Cb 0.17 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2klb h THR 27 CO -0.01 0.56 0.00 0.61 0.37 0.00 0.00 175.52 177.05 2klb n GLY 28 N 0.15 0.27 3.68 2.16 0.00 -0.73 -5.10 105.19 105.63 2klb n GLY 28 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.12 5.21 0.01 1.61 1.01 -0.81 -4.97 120.40 121.34 2klb s VAL 29 Ca 0.00 0.71 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 2klb s VAL 29 Cb 0.00 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 2klb s VAL 29 CO 0.00 0.28 1.65 -0.83 0.00 0.00 0.00 175.10 176.20 2klb s GLY 30 N 0.91 1.57 -0.04 4.51 0.00 -1.26 -3.46 107.32 109.55 2klb s GLY 30 Ca 0.19 1.07 -0.02 0.00 0.00 0.00 0.00 44.72 45.97 2klb s GLY 30 CO 0.08 2.95 0.08 0.14 0.00 0.00 0.00 173.10 176.35 2klb s VAL 31 N 3.33 4.79 -0.25 1.40 1.01 -1.26 -0.17 120.40 129.24 2klb s VAL 31 Ca 0.74 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 2klb s VAL 31 Cb -0.36 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 32.91 2klb s VAL 31 CO 0.31 0.44 -0.08 -1.81 0.00 0.00 0.00 175.10 173.96 2klb s ASP 32 N -1.47 4.31 -0.15 3.32 1.01 0.43 -4.78 116.67 119.35 2klb s ASP 32 Ca 0.20 -1.03 -0.28 0.00 0.71 0.00 0.00 52.55 52.15 2klb s ASP 32 Cb -0.12 -1.62 -0.01 0.00 1.01 0.00 0.00 42.92 42.18 2klb s ASP 32 CO 0.10 -0.15 0.94 0.68 0.21 0.00 0.00 175.17 176.95 2klb s VAL 33 N 1.26 4.81 -0.24 -1.27 -7.23 -1.26 -1.71 120.40 114.76 2klb s VAL 33 Ca -0.02 1.87 -0.00 0.00 -1.81 0.00 0.00 61.98 62.02 2klb s VAL 33 Cb -0.17 -4.24 0.07 0.00 0.56 0.00 0.00 36.38 32.59 2klb s VAL 33 CO -0.05 -0.01 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.03 2klb s VAL 34 N 2.22 1.28 -0.43 1.32 1.01 -0.13 -4.96 120.40 120.71 2klb s VAL 34 Ca 0.44 -1.18 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 2klb s VAL 34 Cb -0.17 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.56 2klb s VAL 34 CO 0.14 -0.23 0.85 -0.62 0.00 0.00 0.00 175.10 175.24 2klb s ASP 35 N 1.49 6.50 0.00 3.32 2.15 -1.26 -1.26 116.67 127.60 2klb s ASP 35 Ca -0.02 0.13 0.27 0.00 0.43 0.00 0.00 52.55 53.36 2klb s ASP 35 Cb -0.18 -2.42 0.80 0.00 -0.30 0.00 0.00 42.92 40.82 2klb s ASP 35 CO -0.09 -0.93 1.61 0.00 -0.17 0.00 0.00 175.17 175.59 2klb n LEU 36 N 6.85 0.41 -0.16 -1.34 -0.00 0.05 -4.09 117.00 118.72 2klb n LEU 36 Ca 0.04 0.11 -0.07 0.00 -0.00 0.00 0.00 56.01 56.09 2klb n LEU 36 Cb 0.48 -0.30 0.02 0.00 -0.00 0.00 0.00 43.42 43.63 2klb n LEU 36 CO 0.60 0.09 1.07 1.23 -0.00 0.00 0.00 177.39 180.38 2klb h GLY 37 N 4.99 0.68 -1.50 1.47 0.00 -1.91 -0.44 103.07 106.36 2klb h GLY 37 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2klb h GLY 37 CO 0.00 0.23 0.00 0.00 0.00 0.00 0.00 176.54 176.77 2klb n ALA 38 N -2.24 2.79 -1.06 3.60 0.00 -1.26 -4.97 120.51 117.37 2klb n ALA 38 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2klb n ALA 38 Cb 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2klb n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2klb n ALA 39 N 0.16 -1.56 -2.47 0.00 0.00 -0.18 -5.03 120.51 111.43 2klb n ALA 39 Ca 0.08 0.32 -0.28 0.00 0.00 0.00 0.00 53.44 53.56 2klb n ALA 39 Cb 0.44 -1.14 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 2klb n ALA 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2klb s VAL 40 N -4.40 2.70 0.41 0.00 -7.23 -1.26 -4.83 120.40 105.78 2klb s VAL 40 Ca 0.00 -1.70 0.08 0.00 -1.81 0.00 0.00 61.98 58.54 2klb s VAL 40 Cb 0.00 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.66 2klb s VAL 40 CO 0.00 0.01 0.42 -0.62 -0.31 0.00 0.00 175.10 174.59 2klb s ASP 41 N -2.39 5.24 0.57 4.85 2.15 -1.26 -5.00 116.67 120.83 2klb s ASP 41 Ca 0.19 -0.63 0.36 0.00 0.43 0.00 0.00 52.55 52.90 2klb s ASP 41 Cb -0.09 -0.65 1.95 0.00 -0.30 0.00 0.00 42.92 43.82 2klb s ASP 41 CO 0.10 -0.64 2.09 -0.07 -0.17 0.00 0.00 175.17 176.48 2klb h LEU 42 N 0.95 0.00 0.37 -1.34 -0.00 -2.01 -1.65 115.31 111.63 2klb h LEU 42 Ca -0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.46 2klb h LEU 42 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2klb h LEU 42 CO 0.54 0.00 -0.29 1.56 -0.00 0.00 0.00 178.44 180.26 2klb h GLN 43 N 0.00 -0.63 -0.73 1.13 4.20 -2.00 0.69 115.11 117.77 2klb h GLN 43 Ca 0.00 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.76 2klb h GLN 43 Cb 0.11 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 2klb h GLN 43 CO 0.00 -0.42 0.48 0.93 -0.67 0.00 0.00 178.83 179.15 2klb h GLU 44 N -0.66 0.95 -0.81 1.46 3.07 -1.71 -2.46 114.58 114.42 2klb h GLU 44 Ca -0.03 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 2klb h GLU 44 Cb 0.57 -0.22 -0.04 0.00 -0.84 0.00 0.00 28.75 28.23 2klb h GLU 44 CO -0.01 0.63 0.45 1.25 -1.40 0.00 0.00 179.01 179.94 2klb h LEU 45 N 0.98 1.00 -0.31 1.33 7.12 -1.11 -1.60 115.31 122.72 2klb h LEU 45 Ca 0.27 -0.08 -0.17 0.00 0.13 0.00 0.00 57.88 58.03 2klb h LEU 45 Cb -0.11 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 39.77 2klb h LEU 45 CO -0.06 0.79 -0.49 -0.09 -0.13 0.00 0.00 178.44 178.47 2klb h ARG 46 N 1.13 0.88 -0.13 1.25 2.43 -0.51 -2.87 114.38 116.56 2klb h ARG 46 Ca 0.29 -0.53 0.04 0.00 -0.81 0.00 0.00 59.98 58.97 2klb h ARG 46 Cb 0.01 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2klb h ARG 46 CO -0.05 1.17 0.11 0.93 -1.51 0.00 0.00 179.97 180.62 2klb h GLU 47 N 0.67 0.00 -0.45 0.20 4.39 -1.00 -0.64 114.58 117.74 2klb h GLU 47 Ca 0.03 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.84 2klb h GLU 47 Cb 1.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 2klb h GLU 47 CO 0.11 0.00 0.32 1.25 -1.16 0.00 0.00 179.01 179.53 2klb h LEU 48 N 0.00 0.11 -1.37 1.33 5.85 -1.06 -1.15 115.31 119.02 2klb h LEU 48 Ca 0.06 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2klb h LEU 48 Cb 0.28 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2klb h LEU 48 CO -0.00 0.07 0.47 0.58 -0.34 0.00 0.00 178.44 179.22 2klb h VAL 49 N 0.12 1.05 0.00 1.05 2.07 -1.22 0.22 116.25 119.54 2klb h VAL 49 Ca 0.21 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2klb h VAL 49 Cb 0.68 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2klb h VAL 49 CO -0.03 0.14 -0.66 1.23 0.02 0.00 0.00 177.57 178.28 2klb h GLY 50 N 0.79 0.00 -1.55 2.17 0.00 -1.39 -3.31 103.07 99.77 2klb h GLY 50 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2klb h GLY 50 CO -0.10 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.98 2klb n ARG 51 N -2.83 2.10 0.19 4.80 3.00 -0.44 -4.27 116.66 119.22 2klb n ARG 51 Ca 0.01 -1.67 0.14 0.00 -0.01 0.00 0.00 57.85 56.32 2klb n ARG 51 Cb 0.54 -1.44 0.67 0.00 0.00 0.00 0.00 32.46 32.23 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 0.65 -1.37 0.00 1.35 -1.85 -3.42 112.91 108.27 2klb h THR 53 Ca 0.00 -0.70 0.13 0.00 -0.55 0.00 0.00 66.41 65.28 2klb h THR 53 Cb 0.14 1.45 -0.29 0.00 -1.73 0.00 0.00 68.15 67.72 2klb h THR 53 CO 0.00 0.16 0.58 -0.83 -0.25 0.00 0.00 175.52 175.18 2klb s GLY 54 N -4.22 0.13 0.21 5.82 0.00 -0.71 -4.69 107.32 103.86 2klb s GLY 54 Ca -0.02 3.18 -0.23 0.00 0.00 0.00 0.00 44.72 47.65 2klb s GLY 54 CO 0.61 2.20 0.86 0.48 0.00 0.00 0.00 173.10 177.25 2klb s LEU 55 N 0.59 -0.20 -0.15 0.66 2.34 -1.25 -1.01 118.68 119.66 2klb s LEU 55 Ca -0.01 -0.51 -0.06 0.00 0.06 0.00 0.00 54.13 53.61 2klb s LEU 55 Cb -0.04 2.40 0.06 0.00 -0.56 0.00 0.00 46.19 48.05 2klb s LEU 55 CO -0.11 -1.10 0.32 0.54 -1.06 0.00 0.00 176.35 174.93 2klb s VAL 56 N -3.51 -0.30 -0.10 1.48 0.11 -0.70 -0.67 120.40 116.72 2klb s VAL 56 Ca 0.12 0.19 -0.13 0.00 -2.93 0.00 0.00 61.98 59.23 2klb s VAL 56 Cb -0.03 -0.51 -0.05 0.00 -1.53 0.00 0.00 36.38 34.26 2klb s VAL 56 CO 0.04 0.08 0.31 -0.63 -3.33 0.00 0.00 175.10 171.57 2klb s ILE 57 N 1.99 5.25 0.00 7.04 1.09 0.26 -0.93 121.20 135.89 2klb s ILE 57 Ca -0.04 0.59 0.00 0.00 -1.10 0.00 0.00 60.65 60.10 2klb s ILE 57 Cb -0.11 -3.62 0.00 0.00 -1.06 0.00 0.00 42.46 37.67 2klb s ILE 57 CO -0.10 0.50 0.00 0.61 -0.10 0.00 0.00 174.94 175.84 2klb n GLY 58 N 2.57 1.68 3.53 6.18 0.00 -0.68 -4.00 105.19 114.47 2klb n GLY 58 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 1.44 -0.33 1.61 0.23 -1.26 -4.62 119.30 116.37 2klb s MET 59 Ca 0.00 -1.15 0.17 0.00 -1.03 0.00 0.00 55.69 53.67 2klb s MET 59 Cb 0.00 0.47 0.45 0.00 -1.53 0.00 0.00 34.83 34.21 2klb s MET 59 CO 0.00 -0.59 1.05 -1.13 -2.03 0.00 0.00 175.02 172.32 2klb n SER 60 N -0.34 0.76 -4.75 -1.18 3.41 -1.26 -5.07 113.62 105.19 2klb n SER 60 Ca -0.04 -2.61 -0.32 0.00 -0.26 0.00 0.00 58.87 55.64 2klb n SER 60 Cb 0.62 -0.21 0.09 0.00 -0.26 0.00 0.00 64.21 64.45 2klb n SER 60 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2klb s PRO 61 N -2.47 2.20 0.27 4.33 0.04 -1.26 -4.29 135.00 133.82 2klb s PRO 61 Ca 0.26 1.39 -0.09 0.00 0.04 0.00 0.00 61.00 62.60 2klb s PRO 61 Cb 0.44 -1.88 0.43 0.00 0.04 0.00 0.00 34.50 33.54 2klb s PRO 61 CO 0.01 -1.72 1.56 0.00 0.04 0.00 0.00 177.00 176.89 2klb n ALA 62 N -3.18 0.20 -0.20 8.56 0.00 -1.17 0.12 120.51 124.85 2klb n ALA 62 Ca 0.11 1.09 0.01 0.00 0.00 0.00 0.00 53.44 54.64 2klb n ALA 62 Cb 0.52 -0.64 0.11 0.00 0.00 0.00 0.00 19.45 19.45 2klb n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2klb h ALA 63 N 1.93 0.74 -0.37 0.00 0.00 -1.91 -2.37 119.26 117.29 2klb h ALA 63 Ca 0.46 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2klb h ALA 63 Cb 0.71 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2klb h ALA 63 CO -1.03 -0.29 0.00 0.43 0.00 0.00 0.00 179.25 178.37 2klb n SER 64 N -5.10 3.31 0.21 0.00 7.64 0.22 -4.61 113.62 115.29 2klb n SER 64 Ca 0.09 -1.95 0.05 0.00 1.01 0.00 0.00 58.87 58.07 2klb n SER 64 Cb 0.32 -0.24 0.46 0.00 -1.01 0.00 0.00 64.21 63.75 2klb n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2klb h ALA 65 N 4.05 1.59 -0.14 -0.43 0.00 0.25 -3.34 119.26 121.25 2klb h ALA 65 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2klb h ALA 65 Cb 0.92 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2klb h ALA 65 CO 0.00 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.55 2klb n ALA 66 N -2.49 0.00 0.08 0.00 0.00 -1.26 -0.68 120.51 116.16 2klb n ALA 66 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 2klb n ALA 66 Cb 0.30 0.43 -0.10 0.00 0.00 0.00 0.00 19.45 20.07 2klb n ALA 66 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2klb h SER 67 N 0.00 0.70 -0.64 0.00 0.02 -1.97 -3.34 113.55 108.31 2klb h SER 67 Ca 0.00 -0.62 0.03 0.00 -0.84 0.00 0.00 61.79 60.36 2klb h SER 67 Cb 0.00 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 2klb h SER 67 CO 0.00 1.44 0.39 0.40 -1.14 0.00 0.00 176.83 177.92 2klb h ILE 68 N 0.24 1.07 -0.87 3.27 2.04 -1.56 -1.91 117.51 119.78 2klb h ILE 68 Ca -0.14 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 2klb h ILE 68 Cb 1.80 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 2klb h ILE 68 CO 0.21 0.14 0.51 1.56 0.00 0.00 0.00 178.15 180.57 2klb h GLN 69 N 0.76 1.18 -0.66 2.37 1.08 -1.04 0.22 115.11 119.02 2klb h GLN 69 Ca 0.26 -0.11 0.01 0.00 -1.45 0.00 0.00 58.65 57.35 2klb h GLN 69 Cb 0.04 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.19 2klb h GLN 69 CO -0.11 0.84 0.44 0.78 -0.95 0.00 0.00 178.83 179.83 2klb h GLY 70 N 1.20 0.93 0.58 3.46 0.00 -1.54 -0.48 103.07 107.21 2klb h GLY 70 Ca 0.31 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2klb h GLY 70 CO -0.06 0.33 -0.03 0.00 0.00 0.00 0.00 176.54 176.79 2klb h ALA 71 N 1.59 -0.09 -0.61 3.60 0.00 -0.50 -3.17 119.26 120.08 2klb h ALA 71 Ca 0.25 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2klb h ALA 71 Cb -0.09 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 2klb h ALA 71 CO -0.05 -0.34 0.23 -0.07 0.00 0.00 0.00 179.25 179.01 2klb h LEU 72 N -0.52 0.22 -2.10 0.00 3.38 -0.35 0.22 115.31 116.17 2klb h LEU 72 Ca -0.01 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.12 2klb h LEU 72 Cb 0.45 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2klb h LEU 72 CO 0.02 0.13 0.22 0.28 0.09 0.00 0.00 178.44 179.18 2klb h SER 73 N 0.40 0.00 0.17 -0.43 0.02 -1.16 -1.51 113.55 111.05 2klb h SER 73 Ca 0.31 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.90 2klb h SER 73 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2klb h SER 73 CO -0.31 0.00 -1.81 0.74 -1.14 0.00 0.00 176.83 174.31 2klb h THR 74 N 0.00 0.85 -0.96 -2.27 2.02 -0.90 -3.38 112.91 108.27 2klb h THR 74 Ca 0.12 -2.45 0.09 0.00 0.77 0.00 0.00 66.41 64.94 2klb h THR 74 Cb 0.56 2.69 -0.07 0.00 -1.74 0.00 0.00 68.15 69.59 2klb h THR 74 CO -0.00 0.87 0.60 0.40 0.37 0.00 0.00 175.52 177.76 2klb h ILE 75 N 0.08 1.00 -0.24 3.11 2.04 0.29 0.83 117.51 124.62 2klb h ILE 75 Ca -0.37 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.21 2klb h ILE 75 Cb 2.07 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2klb h ILE 75 CO 0.15 0.19 0.23 -0.07 0.00 0.00 0.00 178.15 178.65 2klb h LEU 76 N 1.04 0.00 0.00 1.44 3.38 -1.50 -0.92 115.31 118.74 2klb h LEU 76 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2klb h LEU 76 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2klb h LEU 76 CO -0.21 0.00 -1.47 0.61 0.09 0.00 0.00 178.44 177.46 2klb n GLY 77 N -1.46 -0.97 0.10 0.83 0.00 0.11 -4.48 105.19 99.32 2klb n GLY 77 Ca 0.03 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 2klb n GLY 77 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2klb h SER 78 N 0.00 0.22 -3.36 1.61 4.64 0.18 -3.47 113.55 113.38 2klb h SER 78 Ca 0.00 -0.41 -0.53 0.00 -0.47 0.00 0.00 61.79 60.39 2klb h SER 78 Cb 0.73 -0.07 0.07 0.00 -0.31 0.00 0.00 62.40 62.82 2klb h SER 78 CO 0.00 1.35 0.82 0.68 -0.87 0.00 0.00 176.83 178.82 2klb s VAL 79 N -2.60 2.36 -0.51 0.95 -7.23 -0.47 -4.96 120.40 107.94 2klb s VAL 79 Ca -0.10 0.31 -0.22 0.00 -1.81 0.00 0.00 61.98 60.16 2klb s VAL 79 Cb 0.07 -3.20 0.04 0.00 0.56 0.00 0.00 36.38 33.86 2klb s VAL 79 CO 0.82 0.05 0.79 0.21 -0.31 0.00 0.00 175.10 176.66 2klb s ASN 80 N 0.42 6.32 0.00 4.85 3.84 -1.26 -4.93 114.94 124.18 2klb s ASN 80 Ca 0.61 -0.46 0.00 0.00 0.21 0.00 0.00 52.86 53.22 2klb s ASN 80 Cb -0.45 -2.37 0.00 0.00 -0.55 0.00 0.00 41.25 37.88 2klb s ASN 80 CO 0.46 -1.02 0.00 1.21 -2.79 0.00 0.00 177.10 174.95 2klb n GLU 81 N 6.82 0.00 -3.97 0.43 2.13 -1.26 -3.64 120.64 121.15 2klb n GLU 81 Ca -0.01 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 2klb n GLU 81 Cb 0.47 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 32.03 2klb n GLU 81 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2klb s LYS 82 N 0.00 1.58 0.30 5.31 0.00 -1.26 -3.64 119.74 122.03 2klb s LYS 82 Ca 0.00 -2.07 0.03 0.00 0.00 0.00 0.00 55.97 53.93 2klb s LYS 82 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 37.83 34.65 2klb s LYS 82 CO 0.00 -1.00 0.12 -0.65 0.00 0.00 0.00 175.35 173.82 2klb s GLN 83 N 0.55 1.57 -0.36 1.78 -1.52 -1.24 -4.96 119.66 115.47 2klb s GLN 83 Ca 0.13 -1.88 -0.06 0.00 -1.95 0.00 0.00 55.36 51.59 2klb s GLN 83 Cb -0.21 -0.28 0.06 0.00 -0.22 0.00 0.00 33.01 32.35 2klb s GLN 83 CO -0.06 -0.37 0.14 0.00 -0.25 0.00 0.00 175.29 174.75 2klb s ALA 84 N -3.59 3.10 -0.24 6.09 0.00 -1.26 -0.07 121.76 125.79 2klb s ALA 84 Ca 0.35 -1.92 -0.05 0.00 0.00 0.00 0.00 51.96 50.34 2klb s ALA 84 Cb 0.06 -2.36 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 2klb s ALA 84 CO 0.16 -1.45 0.01 0.14 0.00 0.00 0.00 175.76 174.61 2klb s VAL 85 N 1.37 3.74 0.29 0.00 -7.23 0.39 -3.85 120.40 115.11 2klb s VAL 85 Ca 0.00 -0.41 -0.28 0.00 -1.81 0.00 0.00 61.98 59.48 2klb s VAL 85 Cb -0.21 -2.75 -0.09 0.00 0.56 0.00 0.00 36.38 33.89 2klb s VAL 85 CO 0.02 0.36 0.96 -0.83 -0.31 0.00 0.00 175.10 175.29 2klb s GLY 86 N 1.52 2.94 -0.27 2.32 0.00 0.16 -1.63 107.32 112.35 2klb s GLY 86 Ca 0.06 0.59 -0.23 0.00 0.00 0.00 0.00 44.72 45.14 2klb s GLY 86 CO -0.00 1.09 0.75 -1.50 0.00 0.00 0.00 173.10 173.44 2klb s ILE 87 N -1.42 0.00 0.14 0.90 1.10 -1.26 -0.58 121.20 120.08 2klb s ILE 87 Ca 0.47 0.00 -0.24 0.00 -0.51 0.00 0.00 60.65 60.37 2klb s ILE 87 Cb -0.22 -1.00 0.07 0.00 0.15 0.00 0.00 42.46 41.46 2klb s ILE 87 CO 0.28 0.00 0.68 0.72 -2.11 0.00 0.00 174.94 174.52 2klb s PHE 88 N 0.64 -0.44 0.33 3.50 -0.71 -1.26 -2.19 117.98 117.85 2klb s PHE 88 Ca -0.02 0.21 -0.23 0.00 -1.04 0.00 0.00 56.93 55.86 2klb s PHE 88 Cb -0.05 0.58 -0.10 0.00 -1.21 0.00 0.00 43.02 42.24 2klb s PHE 88 CO -0.04 -0.84 0.88 -1.83 -1.34 0.00 0.00 175.22 172.05 2klb s GLU 89 N -3.63 4.38 -0.28 1.99 1.03 -1.25 -4.81 118.70 116.13 2klb s GLU 89 Ca 0.03 1.13 -0.04 0.00 0.03 0.00 0.00 54.97 56.12 2klb s GLU 89 Cb -0.02 -2.63 0.10 0.00 -0.80 0.00 0.00 34.13 30.78 2klb s GLU 89 CO -0.09 0.22 0.13 0.99 -1.33 0.00 0.00 175.26 175.17 2klb s THR 90 N -1.77 -0.08 0.00 1.83 2.01 -1.26 -4.93 115.64 111.44 2klb s THR 90 Ca 0.52 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.80 2klb s THR 90 Cb -0.15 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.40 2klb s THR 90 CO 0.20 -0.70 0.00 0.61 -0.69 0.00 0.00 174.62 174.04 2klb n GLY 91 N 5.25 -2.07 3.54 4.40 0.00 -1.26 -4.48 105.19 110.58 2klb n GLY 91 Ca -0.06 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.09 1.20 3.80 -0.02 0.00 -1.21 -4.57 105.19 104.29 2klb n GLY 92 Ca 0.00 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 2klb n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2klb s GLY 93 N 6.26 1.73 -0.30 -0.02 0.00 -1.26 -5.02 107.32 108.71 2klb s GLY 93 Ca 0.67 0.19 -0.02 0.00 0.00 0.00 0.00 44.72 45.56 2klb s GLY 93 CO 0.13 0.51 0.69 -0.35 0.00 0.00 0.00 173.10 174.08 2klb s ASP 94 N -3.53 -1.25 0.06 1.64 2.15 -1.26 -5.11 116.67 109.37 2klb s ASP 94 Ca 0.60 0.64 0.03 0.00 0.43 0.00 0.00 52.55 54.25 2klb s ASP 94 Cb -0.15 1.99 -0.03 0.00 -0.30 0.00 0.00 42.92 44.43 2klb s ASP 94 CO 0.53 -0.23 -0.09 -1.81 -0.17 0.00 0.00 175.17 173.40 2klb s ASP 95 N 2.87 1.02 -0.16 -0.34 1.11 -1.26 -3.02 116.67 116.89 2klb s ASP 95 Ca 0.16 -0.63 -0.12 0.00 0.18 0.00 0.00 52.55 52.14 2klb s ASP 95 Cb -0.13 0.03 -0.06 0.00 1.07 0.00 0.00 42.92 43.83 2klb s ASP 95 CO -0.20 -0.22 -0.14 1.21 1.18 0.00 0.00 175.17 177.00 2klb n GLU 96 N 1.21 0.48 -2.75 8.23 0.00 -1.26 -4.76 120.64 121.78 2klb n GLU 96 Ca -0.21 0.50 -0.43 0.00 0.00 0.00 0.00 57.16 57.02 2klb n GLU 96 Cb 0.55 -1.67 -0.01 0.00 0.00 0.00 0.00 31.44 30.31 2klb n GLU 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2klb s PRO 97 N -2.34 3.82 -0.05 5.31 0.04 -1.26 -4.80 135.00 135.73 2klb s PRO 97 Ca -0.19 -1.88 -0.03 0.00 0.04 0.00 0.00 61.00 58.94 2klb s PRO 97 Cb 0.03 -5.22 -0.01 0.00 0.04 0.00 0.00 34.50 29.34 2klb s PRO 97 CO 0.31 -2.00 -0.07 1.51 0.04 0.00 0.00 177.00 176.79 2klb n ILE 98 N 5.84 0.45 -0.10 0.56 0.13 -1.26 -4.47 119.36 120.50 2klb n ILE 98 Ca 0.36 0.41 -0.08 0.00 -1.10 0.00 0.00 62.75 62.34 2klb n ILE 98 Cb 0.47 -1.78 -0.00 0.00 -0.84 0.00 0.00 39.64 37.49 2klb n ILE 98 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 2klb h ASP 99 N -0.31 0.33 -1.12 9.51 5.19 -2.00 -2.83 116.42 125.19 2klb h ASP 99 Ca 0.00 0.00 0.39 0.00 -0.62 0.00 0.00 57.03 56.80 2klb h ASP 99 Cb 0.19 -0.07 -0.15 0.00 0.18 0.00 0.00 39.33 39.48 2klb h ASP 99 CO 0.00 0.24 0.67 -0.65 -3.12 0.00 0.00 179.24 176.38 2klb h PRO 100 N 0.41 0.15 0.01 3.56 0.11 -1.95 -0.86 132.00 133.44 2klb h PRO 100 Ca 0.14 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 2klb h PRO 100 Cb 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 2klb h PRO 100 CO -0.06 0.10 -0.39 -0.07 -0.21 0.00 0.00 178.00 177.37 2klb h LEU 101 N 0.15 0.05 -0.77 2.35 4.07 -1.75 -3.38 115.31 116.03 2klb h LEU 101 Ca 0.79 -0.88 0.15 0.00 0.08 0.00 0.00 57.88 58.02 2klb h LEU 101 Cb 2.15 -0.02 -0.10 0.00 1.08 0.00 0.00 40.66 43.78 2klb h LEU 101 CO -0.57 1.16 0.32 -0.07 -1.08 0.00 0.00 178.44 178.20 2klb h LEU 102 N -0.93 0.31 -0.81 1.67 3.38 -0.96 -1.59 115.31 116.38 2klb h LEU 102 Ca -0.10 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2klb h LEU 102 Cb 1.14 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 2klb h LEU 102 CO -0.03 0.11 0.50 -1.28 0.09 0.00 0.00 178.44 177.82 2klb h SER 103 N 0.46 0.78 -0.34 -0.43 0.87 -1.46 0.05 113.55 113.47 2klb h SER 103 Ca 0.43 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 61.02 2klb h SER 103 Cb 0.66 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2klb h SER 103 CO -0.41 0.50 0.20 0.11 -0.53 0.00 0.00 176.83 176.71 2klb h LYS 104 N 0.91 0.41 0.19 2.24 1.79 -1.46 -0.78 116.57 119.87 2klb h LYS 104 Ca 0.35 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 2klb h LYS 104 Cb 0.16 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2klb h LYS 104 CO -0.17 0.27 -0.09 0.74 -1.08 0.00 0.00 179.45 179.12 2klb h PHE 105 N 0.42 -0.24 -0.64 -1.35 0.04 -1.28 -2.45 116.94 111.44 2klb h PHE 105 Ca 0.13 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.98 2klb h PHE 105 Cb -0.01 0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.15 2klb h PHE 105 CO -0.07 -0.02 0.28 -0.09 -0.60 0.00 0.00 178.31 177.81 2klb h ARG 106 N -0.41 0.48 0.18 1.51 9.65 -0.88 -1.49 114.38 123.42 2klb h ARG 106 Ca -0.03 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 2klb h ARG 106 Cb 0.32 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 2klb h ARG 106 CO 0.04 0.32 -0.09 -0.91 2.80 0.00 0.00 179.97 182.14 2klb h ASN 107 N 0.50 -0.20 -0.83 -3.80 2.35 -1.14 -3.35 115.58 109.10 2klb h ASN 107 Ca 0.31 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2klb h ASN 107 Cb 0.34 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 2klb h ASN 107 CO -0.27 0.35 0.47 -0.07 -1.65 0.00 0.00 177.43 176.26 2klb h LEU 108 N -0.95 1.03 0.00 1.61 3.38 -1.48 -3.47 115.31 115.44 2klb h LEU 108 Ca -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2klb h LEU 108 Cb 0.46 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2klb h LEU 108 CO 0.04 0.82 0.00 0.61 0.09 0.00 0.00 178.44 180.00 2klb n GLY 109 N -1.14 1.84 3.56 0.83 0.00 -0.80 -4.60 105.19 104.88 2klb n GLY 109 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 3.34 -0.46 0.99 1.43 -0.63 -4.15 118.68 119.20 2klb s LEU 110 Ca 0.00 0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 53.15 2klb s LEU 110 Cb 0.00 -2.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 2klb s LEU 110 CO 0.00 -1.99 2.17 -0.89 0.23 0.00 0.00 176.35 175.86 2klb s THR 111 N 7.31 3.15 -0.01 5.49 2.01 0.90 -4.57 115.64 129.91 2klb s THR 111 Ca 0.59 0.11 -0.24 0.00 0.31 0.00 0.00 61.69 62.46 2klb s THR 111 Cb -0.12 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 2klb s THR 111 CO 0.23 -0.29 0.73 0.42 -0.69 0.00 0.00 174.62 175.02 2klb s THR 112 N 10.18 4.90 0.00 -0.82 -4.23 -1.26 -0.46 115.64 123.95 2klb s THR 112 Ca 0.88 1.53 0.00 0.00 -1.18 0.00 0.00 61.69 62.92 2klb s THR 112 Cb -0.19 -4.08 0.00 0.00 1.34 0.00 0.00 72.50 69.58 2klb s THR 112 CO 0.27 0.31 0.67 0.00 -0.54 0.00 0.00 174.62 175.32 2klb n ALA 113 N 3.31 -0.13 -3.03 3.99 0.00 -0.65 -4.85 120.51 119.16 2klb n ALA 113 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.43 2klb n ALA 113 Cb 0.51 0.07 -0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.66 -1.32 -0.42 0.00 5.36 -0.93 -4.96 117.98 114.05 2klb s PHE 114 Ca 0.00 0.11 -0.26 0.00 -0.96 0.00 0.00 56.93 55.82 2klb s PHE 114 Cb 0.00 0.24 0.02 0.00 -0.34 0.00 0.00 43.02 42.95 2klb s PHE 114 CO 0.00 -0.91 0.95 -1.25 -1.46 0.00 0.00 175.22 172.54 2klb s PRO 115 N 1.74 3.70 0.05 10.12 0.04 -1.26 -4.02 135.00 145.37 2klb s PRO 115 Ca 0.17 0.40 -0.07 0.00 0.04 0.00 0.00 61.00 61.54 2klb s PRO 115 Cb -0.01 -3.87 0.03 0.00 0.04 0.00 0.00 34.50 30.69 2klb s PRO 115 CO -0.09 -1.11 0.35 0.00 0.04 0.00 0.00 177.00 176.19 2klb n ALA 116 N 7.06 -0.93 -3.41 8.56 0.00 -1.26 -5.08 120.51 125.45 2klb n ALA 116 Ca 0.07 -0.31 -0.25 0.00 0.00 0.00 0.00 53.44 52.95 2klb n ALA 116 Cb 0.48 0.16 -0.10 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.35 -0.01 -0.12 0.00 -4.36 -1.26 -3.81 121.20 109.29 2klb s ILE 117 Ca 0.08 -1.57 0.17 0.00 -0.26 0.00 0.00 60.65 59.07 2klb s ILE 117 Cb -0.01 -0.97 -0.25 0.00 1.25 0.00 0.00 42.46 42.48 2klb s ILE 117 CO 0.01 -0.88 0.41 -2.11 0.24 0.00 0.00 174.94 172.61 2klb n ARG 118 N 3.97 0.66 -2.19 0.37 1.85 -1.26 -4.92 116.66 115.14 2klb n ARG 118 Ca 0.14 -0.13 -0.43 0.00 -1.00 0.00 0.00 57.85 56.43 2klb n ARG 118 Cb 0.41 -1.37 -0.02 0.00 -1.05 0.00 0.00 32.46 30.42 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 -3.06 3.74 0.12 8.89 -1.09 -1.26 -4.91 121.20 123.63 2klb s ILE 119 Ca -0.04 0.78 -0.20 0.00 -2.23 0.00 0.00 60.65 58.96 2klb s ILE 119 Cb 0.11 -3.92 -0.07 0.00 -1.58 0.00 0.00 42.46 37.00 2klb s ILE 119 CO 0.68 -0.53 1.75 0.50 -1.23 0.00 0.00 174.94 176.12 2klb h LYS 120 N 11.30 0.17 0.00 2.79 3.64 -1.91 -3.36 116.57 129.20 2klb h LYS 120 Ca -0.31 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2klb h LYS 120 Cb 1.13 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2klb h LYS 120 CO 1.05 0.11 0.00 0.94 -2.27 0.00 0.00 179.45 179.28 2klb n GLN 121 N -5.03 0.00 -3.96 1.90 7.27 -1.26 -3.75 117.38 112.55 2klb n GLN 121 Ca -0.03 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.69 2klb n GLN 121 Cb 0.06 -0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.56 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 -1.98 2.97 -0.02 1.69 -4.23 -1.26 -3.30 115.64 109.52 2klb s THR 122 Ca 0.00 -0.79 -0.30 0.00 -1.18 0.00 0.00 61.69 59.42 2klb s THR 122 Cb 0.00 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 2klb s THR 122 CO 0.00 0.34 1.22 -2.16 -0.54 0.00 0.00 174.62 173.48 2klb s PRO 123 N 1.39 4.36 0.89 3.99 0.04 -1.26 -5.00 135.00 139.41 2klb s PRO 123 Ca 0.03 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 2klb s PRO 123 Cb -0.15 -3.51 0.13 0.00 0.04 0.00 0.00 34.50 31.02 2klb s PRO 123 CO -0.05 -0.41 1.20 0.95 0.04 0.00 0.00 177.00 178.72 2klb s THR 124 N 1.94 1.98 0.51 1.26 -4.23 -1.26 -4.90 115.64 110.95 2klb s THR 124 Ca 0.58 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 61.34 2klb s THR 124 Cb -0.27 -2.91 0.41 0.00 1.34 0.00 0.00 72.50 71.08 2klb s THR 124 CO 0.24 0.00 1.95 1.05 -0.54 0.00 0.00 174.62 177.33 2klb h GLU 125 N -1.39 0.07 -0.78 3.99 4.11 -2.01 0.02 114.58 118.59 2klb h GLU 125 Ca -0.47 -0.00 0.19 0.00 0.07 0.00 0.00 59.36 59.15 2klb h GLU 125 Cb 1.31 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 2klb h GLU 125 CO 0.57 0.05 0.54 -0.91 0.07 0.00 0.00 179.01 179.32 2klb h ASN 126 N 0.07 0.20 -0.14 3.06 4.21 -1.99 0.53 115.58 121.53 2klb h ASN 126 Ca 0.32 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.85 2klb h ASN 126 Cb 1.17 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 38.34 2klb h ASN 126 CO -0.03 0.09 0.08 0.74 -1.29 0.00 0.00 177.43 177.03 2klb h THR 127 N 0.21 1.08 0.08 2.81 2.02 -1.33 -0.73 112.91 117.06 2klb h THR 127 Ca 0.38 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.36 2klb h THR 127 Cb 1.19 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2klb h THR 127 CO -0.08 0.07 -0.09 1.88 0.37 0.00 0.00 175.52 177.68 2klb h TYR 128 N 0.15 -0.22 -0.30 3.16 -1.99 -1.04 -0.06 116.97 116.67 2klb h TYR 128 Ca 0.05 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.74 2klb h TYR 128 Cb 0.05 0.09 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 2klb h TYR 128 CO -0.05 -0.14 -0.00 0.87 -0.00 0.00 0.00 178.16 178.84 2klb h LYS 129 N -0.19 0.45 0.19 4.88 6.56 -1.28 -1.20 116.57 125.97 2klb h LYS 129 Ca 0.01 -0.09 -0.01 0.00 -1.06 0.00 0.00 60.65 59.50 2klb h LYS 129 Cb 0.19 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 2klb h LYS 129 CO -0.03 0.48 -0.09 1.25 -2.06 0.00 0.00 179.45 179.00 2klb h LEU 130 N 0.43 -0.22 -2.21 2.94 6.46 -0.95 -3.35 115.31 118.41 2klb h LEU 130 Ca 0.10 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2klb h LEU 130 Cb 0.29 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2klb h LEU 130 CO 0.01 0.25 0.00 0.00 -0.62 0.00 0.00 178.44 178.08 2klb h GLU 132 N 0.00 -0.08 -0.26 0.00 4.81 -1.34 -1.10 114.58 116.61 2klb h GLU 132 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2klb h GLU 132 Cb 0.00 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2klb h GLU 132 CO -0.00 -0.05 0.11 1.49 -0.73 0.00 0.00 179.01 179.83 2klb h GLU 133 N -0.08 0.38 -0.31 1.92 4.81 -1.63 -0.83 114.58 118.84 2klb h GLU 133 Ca 0.16 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2klb h GLU 133 Cb 0.33 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 2klb h GLU 133 CO -0.37 0.40 0.02 0.00 -0.73 0.00 0.00 179.01 178.32 2klb h ALA 134 N 0.97 0.29 -0.56 2.92 0.00 -1.53 0.10 119.26 121.46 2klb h ALA 134 Ca 0.09 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2klb h ALA 134 Cb 0.15 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2klb h ALA 134 CO -0.01 -0.39 -0.00 0.78 0.00 0.00 0.00 179.25 179.63 2klb h GLY 135 N 0.11 1.04 0.85 0.00 0.00 -1.12 -1.51 103.07 102.44 2klb h GLY 135 Ca 0.15 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 2klb h GLY 135 CO -0.24 0.68 0.03 -0.84 0.00 0.00 0.00 176.54 176.17 2klb h THR 136 N 0.88 1.14 -0.75 4.70 2.02 -0.62 -0.45 112.91 119.83 2klb h THR 136 Ca 0.16 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.92 2klb h THR 136 Cb 0.52 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 2klb h THR 136 CO 0.03 0.12 0.49 -0.78 0.37 0.00 0.00 175.52 175.75 2klb h ASP 137 N -0.05 0.87 0.11 4.18 3.58 -0.77 0.11 116.42 124.45 2klb h ASP 137 Ca 0.02 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2klb h ASP 137 Cb 0.17 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 2klb h ASP 137 CO -0.00 0.63 -0.09 0.25 -2.88 0.00 0.00 179.24 177.16 2klb h LEU 138 N 1.02 -0.22 -0.63 2.28 7.12 -1.04 -0.07 115.31 123.77 2klb h LEU 138 Ca 0.27 0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.34 2klb h LEU 138 Cb -0.11 0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 40.05 2klb h LEU 138 CO -0.06 -0.14 0.37 1.23 -0.13 0.00 0.00 178.44 179.71 2klb h GLY 139 N -0.21 0.91 1.92 3.75 0.00 -0.39 -0.31 103.07 108.73 2klb h GLY 139 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2klb h GLY 139 CO -0.01 0.21 -0.06 1.46 0.00 0.00 0.00 176.54 178.14 2klb h GLN 140 N 0.71 0.10 0.06 4.80 4.20 -0.62 -1.96 115.11 122.42 2klb h GLN 140 Ca 0.26 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 2klb h GLN 140 Cb 0.08 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2klb h GLN 140 CO -0.13 0.17 -0.03 2.35 -0.67 0.00 0.00 178.83 180.52 2klb h TRP 141 N 0.10 -0.08 -0.51 2.96 7.01 -0.07 -3.17 115.95 122.20 2klb h TRP 141 Ca 0.02 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.10 2klb h TRP 141 Cb 0.17 0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.20 2klb h TRP 141 CO 0.00 0.44 0.15 0.28 -2.79 0.00 0.00 178.44 176.52 2klb h VAL 142 N -0.67 0.78 -0.68 2.65 2.07 -0.83 -1.86 116.25 117.71 2klb h VAL 142 Ca -0.01 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2klb h VAL 142 Cb 0.56 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2klb h VAL 142 CO 0.01 0.06 0.30 0.00 0.02 0.00 0.00 177.57 177.96 2klb h THR 143 N 0.31 1.23 -0.03 2.57 1.03 -1.47 0.31 112.91 116.85 2klb h THR 143 Ca 0.25 -0.67 -0.22 0.00 -0.01 0.00 0.00 66.41 65.75 2klb h THR 143 Cb 0.30 0.38 0.02 0.00 -1.07 0.00 0.00 68.15 67.77 2klb h THR 143 CO -0.28 0.28 -0.85 0.08 -0.01 0.00 0.00 175.52 174.74 2klb h ARG 144 N 0.98 0.63 0.00 0.00 0.11 -1.42 -3.28 114.38 111.40 2klb h ARG 144 Ca 0.23 -0.64 0.00 0.00 0.10 0.00 0.00 59.98 59.68 2klb h ARG 144 Cb 0.14 0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.39 2klb h ARG 144 CO -0.03 1.24 -0.67 -0.25 0.10 0.00 0.00 179.97 180.37 2klb n ASP 145 N -3.99 0.67 0.00 0.08 8.00 -0.74 -1.14 116.55 119.43 2klb n ASP 145 Ca -0.10 0.06 -0.02 0.00 0.71 0.00 0.00 54.79 55.44 2klb n ASP 145 Cb 0.79 0.25 0.24 0.00 -0.02 0.00 0.00 41.12 42.37 2klb n ASP 145 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2klb h ARG 146 N 0.00 0.51 0.00 -1.24 2.43 -0.47 -3.36 114.38 112.25 2klb h ARG 146 Ca 0.00 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2klb h ARG 146 Cb 0.73 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2klb h ARG 146 CO 0.00 0.64 0.00 -0.11 -1.51 0.00 0.00 179.97 178.99 2klb n LEU 147 N -4.19 1.95 -3.15 3.80 7.94 -1.23 -5.06 117.00 117.06 2klb n LEU 147 Ca 0.01 0.05 0.06 0.00 -1.11 0.00 0.00 56.01 55.01 2klb n LEU 147 Cb 0.33 -0.06 -0.01 0.00 0.53 0.00 0.00 43.42 44.21 2klb n LEU 147 CO 0.41 -0.06 0.66 -0.70 -1.11 0.00 0.00 177.39 176.58 2klb s GLU 148 N -0.13 0.06 0.01 1.96 2.12 -0.30 -4.91 118.70 117.51 2klb s GLU 148 Ca 0.00 0.07 -0.02 0.00 0.36 0.00 0.00 54.97 55.38 2klb s GLU 148 Cb 0.00 0.04 -0.01 0.00 0.26 0.00 0.00 34.13 34.42 2klb s GLU 148 CO 0.00 -0.09 -0.05 1.58 -0.54 0.00 0.00 175.26 176.17 2klb n HIS 149 N 5.22 0.00 -1.40 5.30 -0.00 -0.96 -4.79 115.22 118.59 2klb n HIS 149 Ca 0.03 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.28 2klb n HIS 149 Cb 0.57 -0.07 0.18 0.00 -0.12 0.00 0.00 29.99 30.55 2klb n HIS 149 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2klb n HIS 150 N -3.16 0.00 -2.62 1.57 -0.00 -1.26 -4.99 115.22 104.76 2klb n HIS 150 Ca -0.02 -1.27 -0.43 0.00 0.46 0.00 0.00 57.72 56.46 2klb n HIS 150 Cb 0.07 -0.21 0.00 0.00 -0.12 0.00 0.00 29.99 29.74 2klb n HIS 150 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2klb n HIS 151 N -1.22 4.37 -2.80 1.57 -0.00 -1.26 -4.89 115.22 110.99 2klb n HIS 151 Ca 0.17 -3.08 -0.44 0.00 -0.00 0.00 0.00 57.72 54.38 2klb n HIS 151 Cb 0.67 -2.30 0.00 0.00 -0.00 0.00 0.00 29.99 28.37 2klb n HIS 151 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2klb n HIS 152 N 6.06 4.61 0.00 1.57 1.44 -1.26 -4.86 115.22 122.78 2klb n HIS 152 Ca 0.42 -3.22 0.00 0.00 -2.01 0.00 0.00 57.72 52.91 2klb n HIS 152 Cb 0.42 -2.20 0.00 0.00 0.12 0.00 0.00 29.99 28.33 2klb n HIS 152 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2klb n HIS 153 N 5.62 0.00 0.95 -1.40 -0.00 -1.26 -5.25 115.22 113.88 2klb n HIS 153 Ca 0.39 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 58.22 2klb n HIS 153 Cb 0.42 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.50 2klb n HIS 153 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06