#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 -0.63 -3.94 0.44 2.08 -1.26 -0.60 119.36 115.45 2klb n ILE 2 Ca 0.00 0.62 -0.31 0.00 0.56 0.00 0.00 62.75 63.62 2klb n ILE 2 Cb 0.00 -0.93 -0.15 0.00 -0.75 0.00 0.00 39.64 37.81 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 -6.03 1.65 -0.69 7.39 0.00 0.14 -3.62 107.32 106.17 2klb s GLY 3 Ca 0.00 -2.20 -0.23 0.00 0.00 0.00 0.00 44.72 42.29 2klb s GLY 3 CO 0.00 1.11 1.04 0.14 0.00 0.00 0.00 173.10 175.39 2klb s VAL 4 N 1.13 4.19 -0.15 1.40 1.01 -0.27 -0.72 120.40 126.99 2klb s VAL 4 Ca 0.09 -0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 2klb s VAL 4 Cb -0.19 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.42 2klb s VAL 4 CO -0.12 -1.56 0.56 -0.36 0.00 0.00 0.00 175.10 173.62 2klb s PHE 5 N 4.42 3.45 0.12 5.22 0.40 0.02 0.12 117.98 131.73 2klb s PHE 5 Ca 0.25 0.93 -0.05 0.00 -0.60 0.00 0.00 56.93 57.46 2klb s PHE 5 Cb -0.14 -2.69 -0.02 0.00 0.51 0.00 0.00 43.02 40.68 2klb s PHE 5 CO 0.11 -0.01 0.14 1.52 0.70 0.00 0.00 175.22 177.68 2klb s TYR 6 N 1.26 0.50 -0.26 0.36 1.13 -0.91 -3.86 117.35 115.57 2klb s TYR 6 Ca 0.28 -0.91 -0.00 0.00 -1.41 0.00 0.00 57.07 55.03 2klb s TYR 6 Cb -0.16 -0.24 0.08 0.00 -1.10 0.00 0.00 41.96 40.54 2klb s TYR 6 CO 0.11 -0.57 0.03 0.54 -2.51 0.00 0.00 175.55 173.15 2klb s VAL 7 N -3.96 1.18 0.51 -3.49 0.11 -1.26 -2.57 120.40 110.92 2klb s VAL 7 Ca 0.15 -1.28 0.21 0.00 -2.93 0.00 0.00 61.98 58.13 2klb s VAL 7 Cb 0.06 -1.70 0.27 0.00 -1.53 0.00 0.00 36.38 33.48 2klb s VAL 7 CO -0.03 -0.38 2.13 0.28 -3.33 0.00 0.00 175.10 173.76 2klb h SER 8 N 8.02 0.00 0.00 3.54 0.02 -1.93 -2.58 113.55 120.63 2klb h SER 8 Ca -0.14 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2klb h SER 8 Cb 1.06 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 2klb h SER 8 CO 0.43 0.06 -0.00 -0.08 -1.14 0.00 0.00 176.83 176.10 2klb h GLU 9 N 0.00 0.00 -3.19 3.45 4.81 -1.93 -3.38 114.58 114.34 2klb h GLU 9 Ca -0.00 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.62 2klb h GLU 9 Cb 0.12 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.10 2klb h GLU 9 CO 0.01 0.00 -0.73 -0.47 -0.73 0.00 0.00 179.01 177.09 2klb s TYR 10 N -4.38 2.09 0.00 0.92 5.04 -0.97 -5.08 117.35 114.96 2klb s TYR 10 Ca -0.05 -2.38 0.00 0.00 -2.44 0.00 0.00 57.07 52.20 2klb s TYR 10 Cb 0.14 -1.96 0.00 0.00 0.35 0.00 0.00 41.96 40.49 2klb s TYR 10 CO 0.48 -0.81 0.00 0.41 -1.34 0.00 0.00 175.55 174.29 2klb n GLY 11 N 3.78 0.87 0.00 8.97 0.00 -1.26 -3.17 105.19 114.38 2klb n GLY 11 Ca 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.00 -0.35 1.61 4.01 -1.26 -3.90 117.16 117.26 2klb n TYR 12 Ca 0.00 0.00 0.27 0.00 -0.16 0.00 0.00 57.90 58.01 2klb n TYR 12 Cb 0.00 0.00 0.56 0.00 -0.31 0.00 0.00 39.34 39.59 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 0.00 0.36 -0.42 7.72 0.87 -1.77 0.44 113.55 120.76 2klb h SER 13 Ca 0.00 0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.51 2klb h SER 13 Cb 0.00 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2klb h SER 13 CO 0.00 0.01 -0.29 -2.24 -0.53 0.00 0.00 176.83 173.78 2klb h ASP 14 N 0.28 0.99 -0.49 6.23 2.03 -1.77 -2.48 116.42 121.22 2klb h ASP 14 Ca 0.65 -0.41 0.03 0.00 -0.73 0.00 0.00 57.03 56.57 2klb h ASP 14 Cb 1.83 -0.28 -0.04 0.00 -0.83 0.00 0.00 39.33 40.02 2klb h ASP 14 CO -0.31 1.21 0.27 0.03 -1.03 0.00 0.00 179.24 179.42 2klb h ARG 15 N 0.80 0.53 0.11 4.15 2.47 -0.48 -1.83 114.38 120.13 2klb h ARG 15 Ca 0.09 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2klb h ARG 15 Cb 0.88 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 29.07 2klb h ARG 15 CO 0.08 0.35 -0.07 -0.07 0.56 0.00 0.00 179.97 180.82 2klb h LEU 16 N 0.55 -0.18 -0.75 3.04 3.38 -1.11 0.17 115.31 120.41 2klb h LEU 16 Ca 0.20 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.27 2klb h LEU 16 Cb 0.05 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 2klb h LEU 16 CO -0.11 -0.12 0.41 0.00 0.09 0.00 0.00 178.44 178.72 2klb h ALA 17 N 0.71 1.05 -0.27 1.53 0.00 -1.35 0.34 119.26 121.28 2klb h ALA 17 Ca -0.01 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2klb h ALA 17 Cb 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2klb h ALA 17 CO 0.00 0.05 -0.18 0.37 0.00 0.00 0.00 179.25 179.50 2klb h GLN 18 N 0.72 0.49 -0.09 0.00 4.15 -0.99 -1.71 115.11 117.67 2klb h GLN 18 Ca 0.36 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.54 2klb h GLN 18 Cb 0.31 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 2klb h GLN 18 CO -0.23 0.65 -0.32 0.00 -1.93 0.00 0.00 178.83 177.00 2klb h ALA 19 N 1.37 1.30 0.46 3.38 0.00 0.64 -1.02 119.26 125.40 2klb h ALA 19 Ca 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2klb h ALA 19 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2klb h ALA 19 CO 0.04 0.48 -0.22 0.82 0.00 0.00 0.00 179.25 180.37 2klb h ILE 20 N 0.15 0.33 0.00 0.00 2.04 -0.43 -3.27 117.51 116.33 2klb h ILE 20 Ca 0.02 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 2klb h ILE 20 Cb 0.64 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2klb h ILE 20 CO 0.05 0.06 -0.08 -0.29 0.00 0.00 0.00 178.15 177.89 2klb h ILE 21 N -1.01 0.58 -0.51 -0.67 2.10 -1.31 -2.67 117.51 114.01 2klb h ILE 21 Ca -0.06 -0.36 0.08 0.00 1.08 0.00 0.00 64.86 65.59 2klb h ILE 21 Cb 0.57 1.23 -0.06 0.00 -1.09 0.00 0.00 36.82 37.47 2klb h ILE 21 CO 0.10 0.08 0.16 -1.13 -1.08 0.00 0.00 178.15 176.28 2klb h ASN 22 N 0.00 0.13 0.17 2.19 -0.73 -1.23 0.56 115.58 116.66 2klb h ASN 22 Ca -0.00 0.07 -0.23 0.00 1.87 0.00 0.00 56.30 58.01 2klb h ASN 22 Cb 0.22 0.07 0.01 0.00 0.27 0.00 0.00 38.32 38.89 2klb h ASN 22 CO 0.01 0.10 -0.92 1.23 -0.37 0.00 0.00 177.43 177.48 2klb h GLY 23 N 0.32 0.60 0.99 1.57 0.00 -1.58 -2.94 103.07 102.04 2klb h GLY 23 Ca 0.25 -0.99 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 2klb h GLY 23 CO -0.28 0.88 0.26 -2.22 0.00 0.00 0.00 176.54 175.18 2klb h ILE 24 N 0.33 1.22 -0.58 2.60 2.04 -1.36 -1.36 117.51 120.40 2klb h ILE 24 Ca -0.08 -0.67 -0.11 0.00 1.00 0.00 0.00 64.86 65.00 2klb h ILE 24 Cb 1.55 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2klb h ILE 24 CO 0.17 0.27 -0.05 0.71 0.00 0.00 0.00 178.15 179.24 2klb h THR 25 N 0.83 1.27 -0.86 -0.27 1.35 -0.98 -0.06 112.91 114.19 2klb h THR 25 Ca 0.20 -1.21 0.04 0.00 -0.55 0.00 0.00 66.41 64.89 2klb h THR 25 Cb 0.17 0.87 -0.05 0.00 -1.73 0.00 0.00 68.15 67.41 2klb h THR 25 CO -0.02 0.43 0.55 0.50 -0.25 0.00 0.00 175.52 176.74 2klb h LYS 26 N 0.95 1.04 -0.13 4.72 3.11 -1.31 -0.12 116.57 124.83 2klb h LYS 26 Ca 0.16 -0.06 -0.05 0.00 -2.81 0.00 0.00 60.65 57.89 2klb h LYS 26 Cb 0.62 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.60 2klb h LYS 26 CO 0.04 0.69 -0.12 1.15 -2.81 0.00 0.00 179.45 178.39 2klb h THR 27 N 1.07 1.16 -0.03 1.00 2.02 -0.91 -3.42 112.91 113.81 2klb h THR 27 Ca 0.35 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2klb h THR 27 Cb 0.02 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2klb h THR 27 CO -0.12 0.22 0.00 0.61 0.37 0.00 0.00 175.52 176.60 2klb n GLY 28 N -0.93 1.04 3.22 2.16 0.00 -0.06 -4.03 105.19 106.60 2klb n GLY 28 Ca -0.01 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.03 1.94 -0.76 1.61 1.01 -0.69 -5.01 120.40 116.47 2klb s VAL 29 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 60.79 2klb s VAL 29 Cb 0.00 -1.67 0.08 0.00 0.00 0.00 0.00 36.38 34.79 2klb s VAL 29 CO 0.00 0.54 1.07 -0.83 0.00 0.00 0.00 175.10 175.87 2klb s GLY 30 N 0.18 1.48 -0.06 4.51 0.00 -1.26 -4.23 107.32 107.93 2klb s GLY 30 Ca -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 44.72 42.47 2klb s GLY 30 CO 0.06 2.14 0.10 -1.34 0.00 0.00 0.00 173.10 174.06 2klb s VAL 31 N 3.87 5.00 0.04 1.40 -7.23 -1.26 -0.05 120.40 122.18 2klb s VAL 31 Ca 0.28 -0.13 -0.08 0.00 -1.81 0.00 0.00 61.98 60.23 2klb s VAL 31 Cb -0.12 -3.22 -0.05 0.00 0.56 0.00 0.00 36.38 33.55 2klb s VAL 31 CO 0.04 0.49 0.34 -1.81 -0.31 0.00 0.00 175.10 173.85 2klb s ASP 32 N -1.34 6.58 0.09 4.85 1.01 0.23 -4.79 116.67 123.30 2klb s ASP 32 Ca 0.19 0.69 0.01 0.00 0.71 0.00 0.00 52.55 54.15 2klb s ASP 32 Cb -0.12 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 2klb s ASP 32 CO 0.09 0.22 0.21 0.68 0.21 0.00 0.00 175.17 176.57 2klb s VAL 33 N -1.34 5.19 -0.13 -1.27 -7.23 -1.26 -1.11 120.40 113.24 2klb s VAL 33 Ca 0.30 -0.57 -0.03 0.00 -1.81 0.00 0.00 61.98 59.87 2klb s VAL 33 Cb -0.14 -3.57 0.05 0.00 0.56 0.00 0.00 36.38 33.28 2klb s VAL 33 CO 0.17 0.06 0.05 -0.69 -0.31 0.00 0.00 175.10 174.37 2klb s VAL 34 N -1.57 0.22 -0.91 1.32 1.01 0.12 -4.83 120.40 115.76 2klb s VAL 34 Ca 0.34 -0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.96 2klb s VAL 34 Cb -0.12 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.64 2klb s VAL 34 CO 0.27 -0.05 1.57 -1.81 0.00 0.00 0.00 175.10 175.09 2klb s ASP 35 N 2.01 6.01 0.53 3.32 1.11 -1.26 -2.13 116.67 126.26 2klb s ASP 35 Ca 0.02 -0.94 0.29 0.00 0.18 0.00 0.00 52.55 52.11 2klb s ASP 35 Cb -0.15 -2.56 1.46 0.00 1.07 0.00 0.00 42.92 42.74 2klb s ASP 35 CO -0.07 -1.94 2.06 0.17 1.18 0.00 0.00 175.17 176.57 2klb h LEU 36 N 14.36 0.00 -3.55 1.23 8.10 -1.87 -2.16 115.31 131.42 2klb h LEU 36 Ca 0.05 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.83 2klb h LEU 36 Cb 1.03 0.00 -0.13 0.00 -0.44 0.00 0.00 40.66 41.12 2klb h LEU 36 CO 1.33 0.11 0.27 0.61 -4.11 0.00 0.00 178.44 176.65 2klb n GLY 37 N -0.54 3.49 3.17 0.17 0.00 -1.26 -4.72 105.19 105.49 2klb n GLY 37 Ca -0.01 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 2klb n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klb n ALA 38 N -0.14 0.64 -0.72 4.61 0.00 -0.81 -4.94 120.51 119.15 2klb n ALA 38 Ca 0.38 -1.87 -0.06 0.00 0.00 0.00 0.00 53.44 51.90 2klb n ALA 38 Cb 1.32 0.82 -0.08 0.00 0.00 0.00 0.00 19.45 21.51 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 -1.96 5.06 -2.29 0.00 0.00 -1.26 -4.92 120.51 115.14 2klb n ALA 39 Ca -0.15 -0.87 -0.42 0.00 0.00 0.00 0.00 53.44 51.99 2klb n ALA 39 Cb 0.53 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 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 0.55 3.72 0.41 0.00 -7.23 -1.26 -5.03 120.40 111.55 2klb s VAL 40 Ca 0.32 1.19 0.05 0.00 -1.81 0.00 0.00 61.98 61.73 2klb s VAL 40 Cb 0.15 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 33.33 2klb s VAL 40 CO 0.00 0.06 0.58 -0.62 -0.31 0.00 0.00 175.10 174.81 2klb s ASP 41 N 1.33 5.77 0.59 4.85 2.15 -1.26 -4.93 116.67 125.17 2klb s ASP 41 Ca 0.62 -0.12 0.29 0.00 0.43 0.00 0.00 52.55 53.77 2klb s ASP 41 Cb -0.32 -1.11 1.66 0.00 -0.30 0.00 0.00 42.92 42.85 2klb s ASP 41 CO 0.28 -0.67 2.10 -0.07 -0.17 0.00 0.00 175.17 176.65 2klb h LEU 42 N 0.61 0.00 -0.05 -1.34 -0.00 -1.97 -0.48 115.31 112.07 2klb h LEU 42 Ca -0.44 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.45 2klb h LEU 42 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 2klb h LEU 42 CO 0.52 0.00 0.01 1.56 -0.00 0.00 0.00 178.44 180.53 2klb h GLN 43 N 0.00 0.03 -0.33 1.13 4.20 -2.00 0.10 115.11 118.25 2klb h GLN 43 Ca 0.09 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.63 2klb h GLN 43 Cb 0.49 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2klb h GLN 43 CO -0.00 0.02 -0.44 0.93 -0.67 0.00 0.00 178.83 178.67 2klb h GLU 44 N 0.03 0.85 -0.60 1.46 3.07 -1.59 -3.11 114.58 114.69 2klb h GLU 44 Ca 0.02 -0.47 0.05 0.00 -0.50 0.00 0.00 59.36 58.46 2klb h GLU 44 Cb 0.02 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 2klb h GLU 44 CO -0.03 1.11 0.40 1.25 -1.40 0.00 0.00 179.01 180.34 2klb h LEU 45 N 0.68 0.56 -2.01 1.33 7.12 -0.94 -1.22 115.31 120.84 2klb h LEU 45 Ca 0.04 -0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.10 2klb h LEU 45 Cb 1.02 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.02 2klb h LEU 45 CO 0.10 0.38 0.12 -0.09 -0.13 0.00 0.00 178.44 178.82 2klb h ARG 46 N 0.65 0.00 0.00 1.25 2.43 -0.71 -1.07 114.38 116.93 2klb h ARG 46 Ca 0.25 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2klb h ARG 46 Cb 0.18 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2klb h ARG 46 CO -0.07 0.00 -0.02 0.93 -1.51 0.00 0.00 179.97 179.30 2klb h GLU 47 N 0.00 0.00 0.00 0.20 5.08 -1.32 -1.60 114.58 116.94 2klb h GLU 47 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2klb h GLU 47 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2klb h GLU 47 CO -0.00 0.02 -0.02 1.25 -1.00 0.00 0.00 179.01 179.26 2klb h LEU 48 N 0.00 0.00 0.47 1.33 5.85 -1.31 -2.12 115.31 119.52 2klb h LEU 48 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2klb h LEU 48 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2klb h LEU 48 CO 0.00 0.02 -0.22 0.58 -0.34 0.00 0.00 178.44 178.48 2klb h VAL 49 N 0.00 0.53 0.00 1.05 2.07 -1.44 0.57 116.25 119.03 2klb h VAL 49 Ca -0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2klb h VAL 49 Cb 0.18 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2klb h VAL 49 CO 0.00 0.03 0.00 1.23 0.02 0.00 0.00 177.57 178.85 2klb h GLY 50 N -0.73 0.00 -2.34 2.17 0.00 -1.67 -2.88 103.07 97.62 2klb h GLY 50 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2klb h GLY 50 CO 0.11 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.19 2klb n ARG 51 N -2.84 2.53 0.00 4.80 1.74 -0.82 -4.44 116.66 117.63 2klb n ARG 51 Ca 0.02 -2.34 0.03 0.00 -0.77 0.00 0.00 57.85 54.79 2klb n ARG 51 Cb 0.32 -1.51 0.16 0.00 -1.02 0.00 0.00 32.46 30.40 2klb n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2klb h THR 53 N 0.00 0.00 -1.22 0.00 1.35 -1.83 -3.42 112.91 107.80 2klb h THR 53 Ca 0.00 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.02 2klb h THR 53 Cb 0.12 0.82 -0.31 0.00 -1.73 0.00 0.00 68.15 67.05 2klb h THR 53 CO 0.00 0.00 0.73 -0.83 -0.25 0.00 0.00 175.52 175.17 2klb s GLY 54 N -3.94 0.28 -0.13 5.82 0.00 -0.99 -3.74 107.32 104.62 2klb s GLY 54 Ca -0.04 3.39 -0.08 0.00 0.00 0.00 0.00 44.72 47.99 2klb s GLY 54 CO 0.34 2.14 0.31 0.48 0.00 0.00 0.00 173.10 176.37 2klb s LEU 55 N 0.37 0.42 -0.24 0.66 2.34 -0.09 -0.68 118.68 121.46 2klb s LEU 55 Ca 0.02 0.66 -0.04 0.00 0.06 0.00 0.00 54.13 54.83 2klb s LEU 55 Cb -0.04 1.01 0.01 0.00 -0.56 0.00 0.00 46.19 46.61 2klb s LEU 55 CO -0.13 -0.15 -0.03 0.54 -1.06 0.00 0.00 176.35 175.52 2klb s VAL 56 N 0.91 3.28 -0.28 1.48 0.11 0.10 -0.21 120.40 125.79 2klb s VAL 56 Ca -0.06 -0.70 -0.00 0.00 -2.93 0.00 0.00 61.98 58.29 2klb s VAL 56 Cb -0.07 -2.57 0.05 0.00 -1.53 0.00 0.00 36.38 32.26 2klb s VAL 56 CO -0.07 0.30 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.34 2klb s ILE 57 N 1.43 2.71 -0.30 7.04 1.09 0.59 -0.80 121.20 132.97 2klb s ILE 57 Ca 0.04 -1.44 -0.01 0.00 -1.10 0.00 0.00 60.65 58.13 2klb s ILE 57 Cb -0.15 -2.55 0.16 0.00 -1.06 0.00 0.00 42.46 38.85 2klb s ILE 57 CO -0.03 -0.06 2.16 0.61 -0.10 0.00 0.00 174.94 177.52 2klb n GLY 58 N 4.56 3.97 1.34 6.18 0.00 -1.25 -2.26 105.19 117.73 2klb n GLY 58 Ca -0.14 -1.11 0.18 0.00 0.00 0.00 0.00 46.02 44.95 2klb n GLY 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2klb n MET 59 N 0.58 -2.84 -3.51 1.61 2.81 -0.87 -1.94 117.12 112.96 2klb n MET 59 Ca 0.30 2.05 -0.15 0.00 -1.81 0.00 0.00 57.70 58.09 2klb n MET 59 Cb 0.58 -3.42 -0.05 0.00 -0.71 0.00 0.00 33.22 29.62 2klb n MET 59 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2klb s SER 60 N -6.99 -0.57 0.71 7.83 0.01 -1.26 -4.78 113.70 108.66 2klb s SER 60 Ca 0.00 0.35 -0.12 0.00 1.31 0.00 0.00 55.95 57.48 2klb s SER 60 Cb 0.00 0.54 0.02 0.00 0.21 0.00 0.00 66.02 66.80 2klb s SER 60 CO 0.00 -0.74 1.09 -2.16 0.41 0.00 0.00 173.24 171.84 2klb s PRO 61 N -2.29 2.59 0.19 12.44 0.04 -1.26 -4.03 135.00 142.68 2klb s PRO 61 Ca -0.06 1.22 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 2klb s PRO 61 Cb -0.01 -1.94 0.19 0.00 0.04 0.00 0.00 34.50 32.79 2klb s PRO 61 CO -0.00 -1.39 1.68 0.00 0.04 0.00 0.00 177.00 177.33 2klb h ALA 62 N -0.57 0.46 -0.07 8.56 0.00 -1.92 0.19 119.26 125.91 2klb h ALA 62 Ca -0.45 0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2klb h ALA 62 Cb 1.23 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2klb h ALA 62 CO 0.53 -0.39 0.05 0.00 0.00 0.00 0.00 179.25 179.44 2klb h ALA 63 N 1.45 2.02 0.00 0.00 0.00 -2.00 0.52 119.26 121.26 2klb h ALA 63 Ca 0.25 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.94 2klb h ALA 63 Cb 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2klb h ALA 63 CO -0.43 -0.03 -1.18 0.77 0.00 0.00 0.00 179.25 178.38 2klb h SER 64 N 0.03 0.01 0.12 0.00 0.02 -1.59 -3.37 113.55 108.78 2klb h SER 64 Ca 0.03 -0.56 -0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2klb h SER 64 Cb 0.07 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 2klb h SER 64 CO -0.00 1.46 -0.02 0.00 -1.14 0.00 0.00 176.83 177.13 2klb h ALA 65 N -0.44 1.29 -0.80 3.77 0.00 -0.57 -0.63 119.26 121.88 2klb h ALA 65 Ca -0.32 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.72 2klb h ALA 65 Cb 1.30 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2klb h ALA 65 CO -0.19 0.03 0.53 0.00 0.00 0.00 0.00 179.25 179.62 2klb h ALA 66 N 1.98 2.12 -0.33 0.00 0.00 -1.06 0.19 119.26 122.16 2klb h ALA 66 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2klb h ALA 66 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2klb h ALA 66 CO 0.00 -0.34 0.05 1.03 0.00 0.00 0.00 179.25 179.99 2klb h SER 67 N 0.43 0.52 -0.95 0.00 0.87 -1.32 0.42 113.55 113.52 2klb h SER 67 Ca 0.40 -0.26 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2klb h SER 67 Cb 0.91 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.69 2klb h SER 67 CO -0.13 0.65 0.63 0.40 -0.53 0.00 0.00 176.83 177.85 2klb h ILE 68 N 0.38 1.24 -0.40 2.23 2.04 -1.24 0.33 117.51 122.09 2klb h ILE 68 Ca 0.10 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 2klb h ILE 68 Cb 0.35 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 2klb h ILE 68 CO 0.01 0.24 0.09 -0.61 0.00 0.00 0.00 178.15 177.88 2klb h GLN 69 N 1.29 0.58 -0.22 2.37 4.15 -0.43 0.16 115.11 123.01 2klb h GLN 69 Ca 0.35 -0.10 -0.15 0.00 0.77 0.00 0.00 58.65 59.53 2klb h GLN 69 Cb -0.15 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.45 2klb h GLN 69 CO -0.08 0.54 -0.43 0.78 -1.93 0.00 0.00 178.83 177.71 2klb h GLY 70 N 0.80 0.75 -0.78 2.39 0.00 0.08 -3.15 103.07 103.15 2klb h GLY 70 Ca 0.13 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.58 2klb h GLY 70 CO -0.00 0.79 0.00 0.00 0.00 0.00 0.00 176.54 177.33 2klb n ALA 71 N -2.53 2.50 -0.37 3.60 0.00 0.01 -4.61 120.51 119.11 2klb n ALA 71 Ca -0.05 -0.48 -0.10 0.00 0.00 0.00 0.00 53.44 52.81 2klb n ALA 71 Cb 0.56 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.86 2klb n ALA 71 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2klb n LEU 72 N 0.22 -0.92 -0.37 0.00 7.94 0.53 -1.12 117.00 123.28 2klb n LEU 72 Ca 0.13 1.66 0.03 0.00 -1.11 0.00 0.00 56.01 56.72 2klb n LEU 72 Cb 0.26 -0.25 0.18 0.00 0.53 0.00 0.00 43.42 44.14 2klb n LEU 72 CO 0.10 -1.32 1.27 0.28 -1.11 0.00 0.00 177.39 176.61 2klb h SER 73 N 0.00 1.04 -0.41 1.96 0.02 -1.86 0.56 113.55 114.87 2klb h SER 73 Ca 0.14 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2klb h SER 73 Cb 0.36 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2klb h SER 73 CO -0.82 0.66 0.17 0.74 -1.14 0.00 0.00 176.83 176.44 2klb h THR 74 N 1.18 1.19 -0.59 -2.27 2.02 -1.46 -2.23 112.91 110.74 2klb h THR 74 Ca 0.44 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 2klb h THR 74 Cb 0.17 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2klb h THR 74 CO -0.18 0.21 0.18 0.40 0.37 0.00 0.00 175.52 176.51 2klb h ILE 75 N 0.51 1.23 0.00 3.11 2.04 -0.23 -0.22 117.51 123.96 2klb h ILE 75 Ca 0.14 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2klb h ILE 75 Cb 0.18 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2klb h ILE 75 CO -0.01 0.30 0.00 -0.07 0.00 0.00 0.00 178.15 178.37 2klb h LEU 76 N 0.87 0.00 0.11 1.44 3.38 -0.69 -1.87 115.31 118.55 2klb h LEU 76 Ca 0.20 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.80 2klb h LEU 76 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2klb h LEU 76 CO -0.01 0.00 -2.02 0.61 0.09 0.00 0.00 178.44 177.11 2klb n GLY 77 N -0.36 -0.57 0.29 0.83 0.00 -0.26 -4.43 105.19 100.69 2klb n GLY 77 Ca 0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 0.06 1.03 -3.82 1.61 4.64 -0.82 -3.45 113.55 112.81 2klb h SER 78 Ca -0.43 -0.37 -0.45 0.00 -0.47 0.00 0.00 61.79 60.07 2klb h SER 78 Cb 2.02 -0.28 0.16 0.00 -0.31 0.00 0.00 62.40 63.99 2klb h SER 78 CO 0.07 1.16 0.18 0.68 -0.87 0.00 0.00 176.83 178.05 2klb s VAL 79 N -4.79 2.00 0.25 0.95 -7.23 -0.73 -4.55 120.40 106.30 2klb s VAL 79 Ca -0.12 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.09 2klb s VAL 79 Cb 0.13 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 2klb s VAL 79 CO 0.87 -0.00 0.12 -3.20 -0.31 0.00 0.00 175.10 172.57 2klb n ASN 80 N -4.25 0.71 -0.03 4.85 2.85 -1.26 -4.97 115.26 113.16 2klb n ASN 80 Ca 0.05 -2.40 -0.06 0.00 -0.11 0.00 0.00 54.58 52.06 2klb n ASN 80 Cb 0.57 0.77 -0.04 0.00 1.24 0.00 0.00 39.78 42.32 2klb n ASN 80 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2klb h GLU 81 N 0.00 -0.21 -2.57 1.20 4.81 -1.99 -3.44 114.58 112.38 2klb h GLU 81 Ca -0.19 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 58.95 2klb h GLU 81 Cb 0.78 0.05 -0.26 0.00 0.63 0.00 0.00 28.75 29.95 2klb h GLU 81 CO 0.30 -0.14 -0.26 -1.59 -0.73 0.00 0.00 179.01 176.59 2klb s LYS 82 N -4.15 0.43 0.00 1.92 0.00 -1.26 -4.66 119.74 112.02 2klb s LYS 82 Ca -0.06 0.84 0.00 0.00 0.00 0.00 0.00 55.97 56.74 2klb s LYS 82 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 37.83 37.86 2klb s LYS 82 CO 0.26 -0.16 0.00 1.04 0.00 0.00 0.00 175.35 176.50 2klb n GLN 83 N 4.27 0.00 -3.34 1.78 1.13 -1.26 -5.00 117.38 114.96 2klb n GLN 83 Ca -0.23 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 54.85 2klb n GLN 83 Cb 0.56 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.87 2klb n GLN 83 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2klb s ALA 84 N -1.76 -2.82 -0.34 -1.58 0.00 -1.25 -4.35 121.76 109.67 2klb s ALA 84 Ca 0.00 1.93 0.02 0.00 0.00 0.00 0.00 51.96 53.91 2klb s ALA 84 Cb 0.00 -2.14 0.10 0.00 0.00 0.00 0.00 23.12 21.08 2klb s ALA 84 CO 0.00 -1.06 0.08 0.14 0.00 0.00 0.00 175.76 174.92 2klb s VAL 85 N 2.55 1.75 -1.21 0.00 -7.23 0.76 -0.91 120.40 116.10 2klb s VAL 85 Ca -0.01 -2.03 -0.20 0.00 -1.81 0.00 0.00 61.98 57.94 2klb s VAL 85 Cb -0.07 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 2klb s VAL 85 CO -0.17 -0.64 1.89 0.61 -0.31 0.00 0.00 175.10 176.48 2klb n GLY 86 N 4.43 2.14 3.65 2.32 0.00 0.71 -3.07 105.19 115.36 2klb n GLY 86 Ca 0.02 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 2klb n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2klb s ILE 87 N 6.94 4.91 0.34 -0.61 -1.09 -1.26 -0.30 121.20 130.14 2klb s ILE 87 Ca 0.59 1.42 -0.07 0.00 -2.23 0.00 0.00 60.65 60.36 2klb s ILE 87 Cb 0.04 -4.05 0.03 0.00 -1.58 0.00 0.00 42.46 36.90 2klb s ILE 87 CO 0.09 0.00 0.58 2.22 -1.23 0.00 0.00 174.94 176.60 2klb n PHE 88 N 5.60 -1.78 -4.23 3.97 -1.74 -0.96 -1.64 117.46 116.69 2klb n PHE 88 Ca 0.03 -1.98 -0.33 0.00 -0.56 0.00 0.00 57.45 54.61 2klb n PHE 88 Cb 0.48 0.67 -0.08 0.00 1.52 0.00 0.00 39.48 42.07 2klb n PHE 88 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 2klb s GLU 89 N -2.45 2.92 0.00 3.97 2.56 -1.26 -2.04 118.70 122.40 2klb s GLU 89 Ca 0.21 -0.53 0.00 0.00 0.00 0.00 0.00 54.97 54.65 2klb s GLU 89 Cb -0.03 -2.76 0.00 0.00 2.00 0.00 0.00 34.13 33.35 2klb s GLU 89 CO 0.16 0.65 0.00 -2.37 -0.56 0.00 0.00 175.26 173.13 2klb n THR 90 N 1.43 0.00 0.00 -1.70 5.66 -0.82 -4.92 114.28 113.94 2klb n THR 90 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 2klb n THR 90 Cb 0.53 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 2.00 0.95 2.68 1.09 0.00 -1.26 -4.00 105.19 106.65 2klb n GLY 91 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 4.99 1.84 2.78 -0.02 0.00 -1.26 -0.73 105.19 112.79 2klb n GLY 92 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.24 -0.38 0.00 -0.02 0.00 -1.26 -4.91 105.19 97.38 2klb n GLY 93 Ca -0.13 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2klb n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2klb n ASP 94 N -2.67 0.00 -0.44 1.61 8.00 -1.26 -5.06 116.55 116.73 2klb n ASP 94 Ca -0.13 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.42 2klb n ASP 94 Cb 0.61 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 2klb n ASP 94 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2klb n ASP 95 N 0.00 -2.45 -0.09 -2.24 2.03 -1.26 -4.78 116.55 107.76 2klb n ASP 95 Ca 0.00 0.42 -0.16 0.00 0.52 0.00 0.00 54.79 55.58 2klb n ASP 95 Cb 0.00 -1.51 -0.05 0.00 -0.72 0.00 0.00 41.12 38.84 2klb n ASP 95 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2klb n GLU 96 N -2.79 0.47 0.00 -0.67 1.02 -1.26 -4.53 120.64 112.87 2klb n GLU 96 Ca -0.03 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2klb n GLU 96 Cb 0.21 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 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 -4.19 0.82 -0.22 3.49 -0.04 -1.26 -4.30 135.00 129.30 2klb n PRO 97 Ca -0.27 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.11 2klb n PRO 97 Cb 0.61 -1.05 -0.03 0.00 -0.04 0.00 0.00 33.50 33.00 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 0.00 0.09 0.48 0.52 2.10 -1.86 -0.62 117.51 118.21 2klb h ILE 98 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 2klb h ILE 98 Cb 0.05 0.09 0.00 0.00 -1.09 0.00 0.00 36.82 35.87 2klb h ILE 98 CO 0.00 0.00 -0.23 0.44 -1.08 0.00 0.00 178.15 177.28 2klb h ASP 99 N -0.20 -0.54 -0.85 2.19 3.32 -1.93 -0.54 116.42 117.86 2klb h ASP 99 Ca 0.19 -0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.39 2klb h ASP 99 Cb 0.56 0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.19 2klb h ASP 99 CO -0.71 -0.36 0.55 -0.65 -1.72 0.00 0.00 179.24 176.35 2klb h PRO 100 N -0.68 0.57 0.39 3.56 0.11 -1.84 -1.09 132.00 133.01 2klb h PRO 100 Ca -0.07 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 2klb h PRO 100 Cb 0.51 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2klb h PRO 100 CO 0.11 0.38 -0.19 1.25 -0.21 0.00 0.00 178.00 179.34 2klb h LEU 101 N 0.59 -0.45 -0.91 2.35 5.85 -0.80 -3.10 115.31 118.85 2klb h LEU 101 Ca 0.43 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.18 2klb h LEU 101 Cb 0.79 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 2klb h LEU 101 CO -0.18 -0.12 0.60 -0.07 -0.34 0.00 0.00 178.44 178.33 2klb h LEU 102 N -0.93 1.02 -1.28 2.25 3.38 -1.06 -2.29 115.31 116.40 2klb h LEU 102 Ca -0.05 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2klb h LEU 102 Cb 0.40 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2klb h LEU 102 CO 0.09 0.73 0.52 -1.28 0.09 0.00 0.00 178.44 178.58 2klb h SER 103 N 1.20 0.78 -0.31 -0.43 0.87 -1.33 -2.23 113.55 112.11 2klb h SER 103 Ca 0.34 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.88 2klb h SER 103 Cb -0.09 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 2klb h SER 103 CO -0.09 0.52 0.09 0.50 -0.53 0.00 0.00 176.83 177.31 2klb h LYS 104 N 0.90 0.48 0.00 2.24 3.64 -1.33 0.49 116.57 122.98 2klb h LYS 104 Ca 0.33 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2klb h LYS 104 Cb 0.17 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2klb h LYS 104 CO -0.11 0.54 -0.11 0.74 -2.27 0.00 0.00 179.45 178.24 2klb h PHE 105 N 0.33 0.00 -0.21 1.91 -1.00 -1.38 0.07 116.94 116.66 2klb h PHE 105 Ca 0.10 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.71 2klb h PHE 105 Cb 0.27 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.82 2klb h PHE 105 CO 0.01 0.11 -0.56 -0.09 -1.61 0.00 0.00 178.31 176.17 2klb h ARG 106 N 0.00 0.66 -0.31 1.51 2.43 -0.94 0.35 114.38 118.08 2klb h ARG 106 Ca -0.00 -0.42 -0.01 0.00 -0.81 0.00 0.00 59.98 58.74 2klb h ARG 106 Cb 0.20 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2klb h ARG 106 CO 0.01 1.04 0.14 -0.97 -1.51 0.00 0.00 179.97 178.69 2klb h ASN 107 N 0.50 0.41 -0.12 -3.80 -1.24 0.89 -3.13 115.58 109.09 2klb h ASN 107 Ca 0.01 -0.13 -0.19 0.00 0.71 0.00 0.00 56.30 56.70 2klb h ASN 107 Cb 1.13 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 40.08 2klb h ASN 107 CO 0.11 0.43 -0.65 -0.07 -1.29 0.00 0.00 177.43 175.96 2klb h LEU 108 N 0.36 0.79 -1.58 0.34 4.07 -1.16 -3.50 115.31 114.63 2klb h LEU 108 Ca 0.11 -0.64 0.00 0.00 0.08 0.00 0.00 57.88 57.43 2klb h LEU 108 Cb 0.13 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.64 2klb h LEU 108 CO -0.01 1.30 0.00 0.61 -1.08 0.00 0.00 178.44 179.26 2klb n GLY 109 N 0.72 0.17 3.94 0.83 0.00 0.10 -4.96 105.19 106.00 2klb n GLY 109 Ca -0.08 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.94 3.88 -0.70 0.99 1.02 -1.16 -4.80 118.68 116.97 2klb s LEU 110 Ca 0.00 -0.26 -0.26 0.00 0.02 0.00 0.00 54.13 53.63 2klb s LEU 110 Cb 0.00 -2.57 -0.06 0.00 0.02 0.00 0.00 46.19 43.58 2klb s LEU 110 CO 0.00 -0.35 2.09 -0.89 0.02 0.00 0.00 176.35 177.22 2klb s THR 111 N -2.20 3.25 0.64 5.49 2.01 -1.26 -4.85 115.64 118.73 2klb s THR 111 Ca 0.42 -0.04 -0.08 0.00 0.31 0.00 0.00 61.69 62.30 2klb s THR 111 Cb -0.08 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.82 2klb s THR 111 CO 0.29 -0.59 0.98 0.42 -0.69 0.00 0.00 174.62 175.04 2klb s THR 112 N 11.00 3.57 0.00 -0.82 -4.23 -1.26 -0.17 115.64 123.74 2klb s THR 112 Ca 0.78 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.49 2klb s THR 112 Cb -0.12 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.26 2klb s THR 112 CO 0.13 -0.53 0.00 0.00 -0.54 0.00 0.00 174.62 173.68 2klb n ALA 113 N -2.76 0.00 -3.12 3.99 0.00 -1.17 -4.88 120.51 112.57 2klb n ALA 113 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.50 2klb n ALA 113 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 -1.53 -0.29 0.00 5.36 -0.65 -4.97 117.98 115.90 2klb s PHE 114 Ca 0.00 0.18 0.01 0.00 -0.96 0.00 0.00 56.93 56.16 2klb s PHE 114 Cb 0.00 0.28 0.11 0.00 -0.34 0.00 0.00 43.02 43.07 2klb s PHE 114 CO 0.00 -1.05 1.02 -0.35 -1.46 0.00 0.00 175.22 173.38 2klb n PRO 115 N 4.21 1.30 -2.85 10.12 -0.05 -1.23 -4.40 135.00 142.10 2klb n PRO 115 Ca 0.11 -0.46 -0.43 0.00 -0.05 0.00 0.00 63.50 62.67 2klb n PRO 115 Cb 0.58 -1.30 -0.03 0.00 -0.05 0.00 0.00 33.50 32.70 2klb n PRO 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2klb s ALA 116 N -0.70 3.17 -0.40 0.55 0.00 -1.26 -4.99 121.76 118.13 2klb s ALA 116 Ca 0.08 -2.28 -0.28 0.00 0.00 0.00 0.00 51.96 49.49 2klb s ALA 116 Cb 0.07 -4.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.15 2klb s ALA 116 CO 0.02 -2.96 1.81 0.96 0.00 0.00 0.00 175.76 175.58 2klb s ILE 117 N 3.60 3.46 -0.08 0.00 -4.36 -1.26 -4.81 121.20 117.75 2klb s ILE 117 Ca 0.29 0.43 0.17 0.00 -0.26 0.00 0.00 60.65 61.29 2klb s ILE 117 Cb -0.10 -3.73 -0.25 0.00 1.25 0.00 0.00 42.46 39.63 2klb s ILE 117 CO -0.00 -0.54 0.27 0.54 0.24 0.00 0.00 174.94 175.45 2klb n ARG 118 N 8.60 0.82 -3.37 0.37 5.12 -1.26 -4.99 116.66 121.95 2klb n ARG 118 Ca 0.22 -0.10 -0.35 0.00 -1.93 0.00 0.00 57.85 55.69 2klb n ARG 118 Cb 0.48 -1.43 -0.06 0.00 -1.16 0.00 0.00 32.46 30.29 2klb n ARG 118 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2klb s ILE 119 N -2.93 4.87 0.00 0.55 1.09 -1.26 -5.00 121.20 118.52 2klb s ILE 119 Ca -0.07 0.77 0.00 0.00 -1.10 0.00 0.00 60.65 60.24 2klb s ILE 119 Cb 0.09 -3.71 0.00 0.00 -1.06 0.00 0.00 42.46 37.78 2klb s ILE 119 CO 0.73 0.19 0.78 2.29 -0.10 0.00 0.00 174.94 178.83 2klb n LYS 120 N 0.66 1.26 0.01 2.79 0.00 -1.18 -4.27 118.16 117.42 2klb n LYS 120 Ca -0.04 -1.06 0.00 0.00 -0.00 0.00 0.00 58.31 57.21 2klb n LYS 120 Cb 0.52 -0.99 0.00 0.00 -0.00 0.00 0.00 35.03 34.55 2klb n LYS 120 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2klb n GLN 121 N -0.28 0.00 -4.30 -1.58 7.27 0.09 -4.42 117.38 114.16 2klb n GLN 121 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.74 2klb n GLN 121 Cb 0.14 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.64 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 -2.00 2.48 0.38 1.69 -4.23 -1.26 -4.55 115.64 108.16 2klb s THR 122 Ca 0.00 -0.81 -0.27 0.00 -1.18 0.00 0.00 61.69 59.42 2klb s THR 122 Cb 0.00 -2.06 -0.10 0.00 1.34 0.00 0.00 72.50 71.69 2klb s THR 122 CO 0.00 0.51 1.39 -2.16 -0.54 0.00 0.00 174.62 173.82 2klb s PRO 123 N 1.09 4.07 0.61 3.99 0.04 -1.26 -4.96 135.00 138.60 2klb s PRO 123 Ca -0.00 2.36 0.02 0.00 0.04 0.00 0.00 61.00 63.42 2klb s PRO 123 Cb -0.14 -2.90 0.07 0.00 0.04 0.00 0.00 34.50 31.57 2klb s PRO 123 CO -0.05 -0.48 0.85 0.95 0.04 0.00 0.00 177.00 178.31 2klb s THR 124 N -1.17 2.42 0.55 1.26 -4.23 -1.26 -4.98 115.64 108.23 2klb s THR 124 Ca 0.54 -0.68 0.28 0.00 -1.18 0.00 0.00 61.69 60.64 2klb s THR 124 Cb -0.42 -2.74 0.41 0.00 1.34 0.00 0.00 72.50 71.09 2klb s THR 124 CO 0.56 0.00 1.96 -0.08 -0.54 0.00 0.00 174.62 176.52 2klb h GLU 125 N -0.13 0.00 -0.55 3.99 4.81 -2.04 -2.32 114.58 118.34 2klb h GLU 125 Ca -0.38 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.74 2klb h GLU 125 Cb 1.28 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 2klb h GLU 125 CO 0.46 0.00 -0.08 -0.91 -0.73 0.00 0.00 179.01 177.75 2klb h ASN 126 N 0.00 1.01 -0.97 1.04 4.21 -2.03 -3.27 115.58 115.56 2klb h ASN 126 Ca 0.27 -0.32 0.12 0.00 1.21 0.00 0.00 56.30 57.57 2klb h ASN 126 Cb 1.15 -0.27 -0.08 0.00 -1.12 0.00 0.00 38.32 38.00 2klb h ASN 126 CO -0.00 1.11 0.60 0.71 -1.29 0.00 0.00 177.43 178.56 2klb h THR 127 N 0.91 0.91 -0.76 2.81 1.35 -1.80 -1.71 112.91 114.63 2klb h THR 127 Ca 0.15 -0.33 0.12 0.00 -0.55 0.00 0.00 66.41 65.80 2klb h THR 127 Cb 0.64 -0.13 -0.05 0.00 -1.73 0.00 0.00 68.15 66.88 2klb h THR 127 CO 0.04 0.17 0.50 1.88 -0.25 0.00 0.00 175.52 177.87 2klb h TYR 128 N 0.95 0.62 0.04 4.73 0.05 -1.73 0.77 116.97 122.40 2klb h TYR 128 Ca 0.48 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 59.28 2klb h TYR 128 Cb 0.48 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.02 2klb h TYR 128 CO -0.01 0.26 -0.02 -0.22 -1.05 0.00 0.00 178.16 177.12 2klb h LYS 129 N 0.55 -0.05 -0.35 4.88 3.64 -1.50 -2.45 116.57 121.29 2klb h LYS 129 Ca 0.36 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 2klb h LYS 129 Cb 0.64 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 2klb h LYS 129 CO -0.13 0.36 0.14 -0.07 -2.27 0.00 0.00 179.45 177.48 2klb h LEU 130 N -0.47 0.44 -0.37 5.20 -0.00 -1.38 -1.80 115.31 116.93 2klb h LEU 130 Ca -0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 2klb h LEU 130 Cb 0.43 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 2klb h LEU 130 CO 0.01 0.41 0.20 0.00 -0.00 0.00 0.00 178.44 179.05 2klb h GLU 132 N 0.47 -0.33 -0.14 0.00 4.81 -0.93 -2.56 114.58 115.90 2klb h GLU 132 Ca 0.13 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2klb h GLU 132 Cb 0.07 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2klb h GLU 132 CO -0.02 -0.14 -0.05 0.93 -0.73 0.00 0.00 179.01 179.01 2klb h GLU 133 N -0.45 -0.02 -0.13 1.92 5.08 -1.31 0.10 114.58 119.78 2klb h GLU 133 Ca -0.03 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2klb h GLU 133 Cb 0.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2klb h GLU 133 CO 0.06 -0.01 -0.04 0.00 -1.00 0.00 0.00 179.01 178.01 2klb h ALA 134 N 1.11 0.08 -0.37 3.43 0.00 -1.26 0.13 119.26 122.38 2klb h ALA 134 Ca 0.07 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2klb h ALA 134 Cb 0.13 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2klb h ALA 134 CO -0.16 -0.49 -0.20 0.78 0.00 0.00 0.00 179.25 179.18 2klb h GLY 135 N -0.01 0.85 0.62 0.00 0.00 -1.27 -2.95 103.07 100.30 2klb h GLY 135 Ca 0.07 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.58 2klb h GLY 135 CO -0.14 0.70 -0.11 -0.84 0.00 0.00 0.00 176.54 176.15 2klb h THR 136 N 0.57 1.39 -0.39 4.70 2.02 -0.69 0.17 112.91 120.67 2klb h THR 136 Ca 0.08 -1.34 0.05 0.00 0.77 0.00 0.00 66.41 65.97 2klb h THR 136 Cb 0.75 2.10 -0.05 0.00 -1.74 0.00 0.00 68.15 69.21 2klb h THR 136 CO 0.06 0.37 0.11 -0.78 0.37 0.00 0.00 175.52 175.66 2klb h ASP 137 N -0.25 0.09 -0.37 4.18 3.58 -1.06 0.52 116.42 123.11 2klb h ASP 137 Ca 0.01 0.05 -0.17 0.00 0.42 0.00 0.00 57.03 57.35 2klb h ASP 137 Cb 0.65 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.76 2klb h ASP 137 CO 0.03 0.09 -0.42 0.25 -2.88 0.00 0.00 179.24 176.30 2klb h LEU 138 N 0.26 1.01 -0.95 2.28 7.12 -1.56 -3.05 115.31 120.41 2klb h LEU 138 Ca 0.19 -0.48 0.10 0.00 0.13 0.00 0.00 57.88 57.82 2klb h LEU 138 Cb 0.19 -0.28 -0.08 0.00 -0.53 0.00 0.00 40.66 39.96 2klb h LEU 138 CO -0.21 1.28 0.59 1.23 -0.13 0.00 0.00 178.44 181.20 2klb h GLY 139 N 0.76 1.51 1.20 3.75 0.00 0.02 -0.52 103.07 109.79 2klb h GLY 139 Ca 0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 2klb h GLY 139 CO 0.10 0.20 0.33 1.46 0.00 0.00 0.00 176.54 178.63 2klb h GLN 140 N 0.98 1.03 -0.45 4.80 4.20 -0.87 -2.26 115.11 122.54 2klb h GLN 140 Ca 0.45 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 2klb h GLN 140 Cb 0.37 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2klb h GLN 140 CO -0.24 0.81 0.27 2.35 -0.67 0.00 0.00 178.83 181.35 2klb h TRP 141 N 1.02 0.61 0.16 2.96 7.01 -1.04 -0.31 115.95 126.35 2klb h TRP 141 Ca 0.25 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.25 2klb h TRP 141 Cb 0.13 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 2klb h TRP 141 CO 0.01 0.44 -0.19 0.28 -2.79 0.00 0.00 178.44 176.19 2klb h VAL 142 N 0.60 0.58 -0.36 2.65 2.07 -0.85 0.39 116.25 121.33 2klb h VAL 142 Ca 0.16 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.56 2klb h VAL 142 Cb 0.01 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2klb h VAL 142 CO -0.03 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.29 2klb h THR 143 N -0.39 1.28 -0.15 2.57 1.03 -1.39 -2.97 112.91 112.89 2klb h THR 143 Ca 0.01 -1.40 -0.16 0.00 -0.01 0.00 0.00 66.41 64.85 2klb h THR 143 Cb 0.38 1.29 -0.01 0.00 -1.07 0.00 0.00 68.15 68.75 2klb h THR 143 CO -0.07 0.46 -0.58 -0.09 -0.01 0.00 0.00 175.52 175.24 2klb h ARG 144 N 0.65 0.48 0.00 0.00 2.43 -0.90 0.26 114.38 117.29 2klb h ARG 144 Ca 0.08 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 2klb h ARG 144 Cb 0.79 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2klb h ARG 144 CO 0.07 0.92 -0.03 0.22 -1.51 0.00 0.00 179.97 179.64 2klb h ASP 145 N 0.36 0.00 -0.60 -3.80 3.58 -0.89 -0.89 116.42 114.18 2klb h ASP 145 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2klb h ASP 145 Cb 1.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.17 2klb h ASP 145 CO 0.10 0.03 0.00 0.54 -2.88 0.00 0.00 179.24 177.04 2klb n ARG 146 N -3.83 2.65 0.00 0.28 1.74 -0.65 -4.96 116.66 111.89 2klb n ARG 146 Ca -0.03 -2.53 0.00 0.00 -0.77 0.00 0.00 57.85 54.52 2klb n ARG 146 Cb 0.12 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2klb n ARG 146 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2klb n LEU 147 N 1.61 0.00 0.00 0.55 -0.00 -0.34 -4.95 117.00 113.87 2klb n LEU 147 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 2klb n LEU 147 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 2klb n LEU 147 CO 0.17 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 178.77 2klb n GLU 148 N 0.00 0.00 0.00 1.96 2.13 0.80 -4.72 120.64 120.81 2klb n GLU 148 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2klb n GLU 148 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.00 0.00 -3.48 4.31 -0.00 -1.26 -4.40 115.22 110.38 2klb n HIS 149 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.52 2klb n HIS 149 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.86 2klb n HIS 149 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2klb s HIS 150 N 0.00 -0.19 -0.17 1.57 0.09 -1.26 -5.12 115.29 110.21 2klb s HIS 150 Ca 0.00 -0.12 -0.04 0.00 -0.00 0.00 0.00 55.06 54.90 2klb s HIS 150 Cb 0.00 -0.51 0.08 0.00 -0.00 0.00 0.00 32.58 32.15 2klb s HIS 150 CO 0.00 -0.72 0.24 -1.01 -0.00 0.00 0.00 174.74 173.24 2klb s HIS 151 N 2.28 -0.34 0.08 1.40 3.76 -1.26 -5.05 115.29 116.16 2klb s HIS 151 Ca 0.08 0.51 0.06 0.00 -0.15 0.00 0.00 55.06 55.56 2klb s HIS 151 Cb -0.15 -0.24 -0.03 0.00 1.11 0.00 0.00 32.58 33.27 2klb s HIS 151 CO -0.22 -0.50 -0.17 -1.01 -0.85 0.00 0.00 174.74 171.99 2klb s HIS 152 N 2.36 1.42 -0.88 1.40 3.76 -1.26 -5.06 115.29 117.04 2klb s HIS 152 Ca 0.05 -0.44 0.23 0.00 -0.15 0.00 0.00 55.06 54.75 2klb s HIS 152 Cb -0.14 -0.79 0.03 0.00 1.11 0.00 0.00 32.58 32.79 2klb s HIS 152 CO -0.11 0.11 1.06 -2.39 -0.85 0.00 0.00 174.74 172.56 2klb n HIS 153 N 1.25 0.05 -0.19 1.40 1.44 -1.26 -3.81 115.22 114.10 2klb n HIS 153 Ca -0.20 0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.52 2klb n HIS 153 Cb 0.54 -0.18 0.00 0.00 0.12 0.00 0.00 29.99 30.47 2klb n HIS 153 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11