#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 -8.63 -2.93 0.44 2.08 -1.25 -3.02 119.36 106.04 2klb n ILE 2 Ca 0.00 2.21 -0.43 0.00 0.56 0.00 0.00 62.75 65.09 2klb n ILE 2 Cb 0.00 -4.02 -0.05 0.00 -0.75 0.00 0.00 39.64 34.82 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 -0.64 1.56 -0.57 7.39 0.00 -0.81 -1.53 107.32 112.72 2klb s GLY 3 Ca 0.00 -1.04 -0.20 0.00 0.00 0.00 0.00 44.72 43.48 2klb s GLY 3 CO 0.00 1.85 0.76 0.14 0.00 0.00 0.00 173.10 175.85 2klb s VAL 4 N 3.42 4.68 -0.24 1.40 1.01 0.24 -0.55 120.40 130.37 2klb s VAL 4 Ca 0.30 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 2klb s VAL 4 Cb -0.12 -4.48 -0.01 0.00 0.00 0.00 0.00 36.38 31.77 2klb s VAL 4 CO 0.22 -1.09 0.74 -0.36 0.00 0.00 0.00 175.10 174.61 2klb s PHE 5 N 3.10 3.32 0.37 5.22 0.40 0.06 -0.19 117.98 130.26 2klb s PHE 5 Ca 0.17 1.02 -0.04 0.00 -0.60 0.00 0.00 56.93 57.48 2klb s PHE 5 Cb -0.20 -2.95 0.02 0.00 0.51 0.00 0.00 43.02 40.40 2klb s PHE 5 CO 0.10 -0.34 0.55 2.48 0.70 0.00 0.00 175.22 178.71 2klb n TYR 6 N 5.75 -1.62 -3.76 0.36 4.11 -0.68 -0.80 117.16 120.53 2klb n TYR 6 Ca 0.03 -2.34 -0.28 0.00 -0.00 0.00 0.00 57.90 55.31 2klb n TYR 6 Cb 0.48 0.62 -0.16 0.00 -0.00 0.00 0.00 39.34 40.28 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 -2.72 0.64 0.45 -3.48 1.01 -1.26 -2.75 120.40 112.30 2klb s VAL 7 Ca 0.28 -0.60 0.21 0.00 0.00 0.00 0.00 61.98 61.87 2klb s VAL 7 Cb -0.02 -1.10 0.41 0.00 0.00 0.00 0.00 36.38 35.67 2klb s VAL 7 CO 0.20 -0.17 1.87 -1.28 0.00 0.00 0.00 175.10 175.72 2klb h SER 8 N 8.21 0.29 0.93 3.32 0.87 -1.92 -0.33 113.55 124.91 2klb h SER 8 Ca -0.17 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2klb h SER 8 Cb 1.11 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2klb h SER 8 CO 0.34 0.11 -0.33 1.21 -0.53 0.00 0.00 176.83 177.64 2klb n GLU 9 N -4.45 0.15 -3.28 2.24 2.13 -1.26 -4.57 120.64 111.61 2klb n GLU 9 Ca 0.18 0.07 -0.47 0.00 0.66 0.00 0.00 57.16 57.61 2klb n GLU 9 Cb 0.75 -1.62 -0.02 0.00 0.27 0.00 0.00 31.44 30.82 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 -3.08 3.64 0.00 4.31 5.04 -0.13 -5.01 117.35 122.12 2klb s TYR 10 Ca 0.10 -1.86 0.00 0.00 -2.44 0.00 0.00 57.07 52.87 2klb s TYR 10 Cb 0.15 -3.88 0.00 0.00 0.35 0.00 0.00 41.96 38.59 2klb s TYR 10 CO 0.65 -1.06 0.00 0.41 -1.34 0.00 0.00 175.55 174.21 2klb n GLY 11 N 4.26 0.53 0.00 8.97 0.00 -1.26 -2.90 105.19 114.78 2klb n GLY 11 Ca 0.13 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.30 0.00 -0.13 1.61 4.01 -1.26 -3.11 117.16 117.97 2klb n TYR 12 Ca 0.00 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.90 2klb n TYR 12 Cb 0.00 0.00 0.53 0.00 -0.31 0.00 0.00 39.34 39.56 2klb n TYR 12 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2klb h SER 13 N 0.00 0.34 -0.74 7.72 0.02 -1.82 0.16 113.55 119.23 2klb h SER 13 Ca 0.00 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2klb h SER 13 Cb 0.00 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 2klb h SER 13 CO 0.00 0.18 0.49 -0.78 -1.14 0.00 0.00 176.83 175.58 2klb h ASP 14 N 0.36 0.83 0.98 3.07 3.58 -1.67 -3.05 116.42 120.52 2klb h ASP 14 Ca 0.34 -0.02 -0.17 0.00 0.42 0.00 0.00 57.03 57.61 2klb h ASP 14 Cb 0.83 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 2klb h ASP 14 CO -0.10 0.59 -1.09 0.03 -2.88 0.00 0.00 179.24 175.79 2klb h ARG 15 N 0.98 0.00 -0.52 0.28 2.47 -0.98 -3.34 114.38 113.27 2klb h ARG 15 Ca 0.28 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 59.06 2klb h ARG 15 Cb -0.07 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.20 2klb h ARG 15 CO -0.07 0.50 0.21 -0.07 0.56 0.00 0.00 179.97 181.10 2klb h LEU 16 N 0.00 0.24 0.17 3.04 3.38 -1.16 -0.32 115.31 120.67 2klb h LEU 16 Ca -0.10 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2klb h LEU 16 Cb 1.60 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.35 2klb h LEU 16 CO 0.07 0.16 -0.24 0.00 0.09 0.00 0.00 178.44 178.52 2klb h ALA 17 N 1.33 -0.45 -0.35 1.53 0.00 -1.67 -2.15 119.26 117.49 2klb h ALA 17 Ca 0.24 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2klb h ALA 17 Cb 0.24 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2klb h ALA 17 CO -0.23 -0.79 -0.20 0.37 0.00 0.00 0.00 179.25 178.39 2klb h GLN 18 N -0.48 0.67 -0.76 0.00 4.15 -1.68 -2.71 115.11 114.31 2klb h GLN 18 Ca 0.01 -0.25 0.04 0.00 0.77 0.00 0.00 58.65 59.22 2klb h GLN 18 Cb 0.48 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.08 2klb h GLN 18 CO -0.10 0.82 0.47 0.00 -1.93 0.00 0.00 178.83 178.09 2klb h ALA 19 N 1.19 1.00 0.40 3.38 0.00 -0.84 0.91 119.26 125.30 2klb h ALA 19 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2klb h ALA 19 Cb 0.67 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2klb h ALA 19 CO 0.05 0.25 -0.19 0.82 0.00 0.00 0.00 179.25 180.17 2klb h ILE 20 N 0.90 0.52 -0.00 0.00 2.04 -1.24 -3.18 117.51 116.54 2klb h ILE 20 Ca 0.31 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2klb h ILE 20 Cb 0.06 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2klb h ILE 20 CO -0.13 0.08 -0.02 -0.29 0.00 0.00 0.00 178.15 177.79 2klb h ILE 21 N -0.88 1.02 -0.84 -0.67 2.10 -1.41 -0.51 117.51 116.32 2klb h ILE 21 Ca -0.05 -0.10 0.17 0.00 1.08 0.00 0.00 64.86 65.95 2klb h ILE 21 Cb 0.55 1.04 -0.06 0.00 -1.09 0.00 0.00 36.82 37.26 2klb h ILE 21 CO 0.09 0.03 0.56 -1.13 -1.08 0.00 0.00 178.15 176.61 2klb h ASN 22 N 0.01 0.47 0.24 2.19 -1.24 -0.79 0.22 115.58 116.67 2klb h ASN 22 Ca 0.00 0.03 -0.34 0.00 0.71 0.00 0.00 56.30 56.71 2klb h ASN 22 Cb 0.05 -0.06 -0.05 0.00 0.73 0.00 0.00 38.32 38.99 2klb h ASN 22 CO 0.00 0.22 -2.02 0.61 -1.29 0.00 0.00 177.43 174.96 2klb n GLY 23 N -1.49 -0.80 0.12 1.57 0.00 -0.31 -4.50 105.19 99.78 2klb n GLY 23 Ca 0.17 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.04 2klb n GLY 23 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2klb h ILE 24 N 0.02 0.58 -0.76 -0.61 1.08 -0.88 -3.35 117.51 113.59 2klb h ILE 24 Ca -0.41 -1.93 0.17 0.00 -0.39 0.00 0.00 64.86 62.30 2klb h ILE 24 Cb 2.05 2.15 -0.05 0.00 -3.07 0.00 0.00 36.82 37.91 2klb h ILE 24 CO 0.05 0.33 0.52 0.00 -0.69 0.00 0.00 178.15 178.36 2klb h THR 25 N 0.00 0.74 0.00 -0.27 1.03 -0.74 0.31 112.91 113.98 2klb h THR 25 Ca -0.06 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 2klb h THR 25 Cb 1.39 0.40 0.00 0.00 -1.07 0.00 0.00 68.15 68.87 2klb h THR 25 CO 0.05 0.06 0.00 0.11 -0.01 0.00 0.00 175.52 175.72 2klb h LYS 26 N 0.31 0.00 0.00 0.00 1.79 -1.82 0.09 116.57 116.95 2klb h LYS 26 Ca 0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 2klb h LYS 26 Cb 1.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 2klb h LYS 26 CO -0.10 0.00 -0.34 1.15 -1.08 0.00 0.00 179.45 179.08 2klb h THR 27 N 0.00 0.00 0.00 -0.16 2.02 -1.20 -3.22 112.91 110.36 2klb h THR 27 Ca 0.00 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2klb h THR 27 Cb 0.08 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2klb h THR 27 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2klb n GLY 28 N 1.28 0.66 3.39 2.16 0.00 0.02 -4.62 105.19 108.09 2klb n GLY 28 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.08 5.15 -0.17 1.61 1.01 -1.26 -5.06 120.40 119.60 2klb s VAL 29 Ca 0.00 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.84 2klb s VAL 29 Cb 0.00 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2klb s VAL 29 CO 0.00 -0.67 0.34 -0.83 0.00 0.00 0.00 175.10 173.94 2klb s GLY 30 N 2.75 2.19 0.01 4.51 0.00 -1.26 -4.16 107.32 111.36 2klb s GLY 30 Ca 0.06 -0.45 -0.18 0.00 0.00 0.00 0.00 44.72 44.15 2klb s GLY 30 CO 0.07 0.58 0.52 -1.34 0.00 0.00 0.00 173.10 172.94 2klb s VAL 31 N 0.75 4.92 -0.52 1.40 -7.23 -1.24 0.15 120.40 118.62 2klb s VAL 31 Ca 0.18 1.09 -0.19 0.00 -1.81 0.00 0.00 61.98 61.25 2klb s VAL 31 Cb -0.14 -3.85 0.06 0.00 0.56 0.00 0.00 36.38 33.02 2klb s VAL 31 CO 0.06 0.49 0.64 -1.81 -0.31 0.00 0.00 175.10 174.17 2klb s ASP 32 N -0.63 6.22 0.17 4.85 1.01 -0.58 -4.87 116.67 122.85 2klb s ASP 32 Ca 0.28 -0.97 -0.26 0.00 0.71 0.00 0.00 52.55 52.30 2klb s ASP 32 Cb -0.18 -2.29 -0.08 0.00 1.01 0.00 0.00 42.92 41.38 2klb s ASP 32 CO 0.16 -0.92 0.81 0.68 0.21 0.00 0.00 175.17 176.11 2klb s VAL 33 N 2.65 4.33 -0.07 -1.27 -7.23 -1.26 -0.60 120.40 116.96 2klb s VAL 33 Ca 0.15 1.79 -0.02 0.00 -1.81 0.00 0.00 61.98 62.08 2klb s VAL 33 Cb -0.20 -4.18 0.03 0.00 0.56 0.00 0.00 36.38 32.60 2klb s VAL 33 CO 0.11 0.50 0.05 -0.69 -0.31 0.00 0.00 175.10 174.77 2klb s VAL 34 N -1.06 -0.01 -0.93 1.32 1.01 0.74 -4.90 120.40 116.57 2klb s VAL 34 Ca 0.37 0.27 -0.24 0.00 0.00 0.00 0.00 61.98 62.38 2klb s VAL 34 Cb -0.24 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 35.86 2klb s VAL 34 CO 0.27 0.12 1.61 -1.81 0.00 0.00 0.00 175.10 175.29 2klb s ASP 35 N 2.12 5.98 0.66 3.32 1.11 -1.25 -1.68 116.67 126.93 2klb s ASP 35 Ca 0.04 -1.01 0.43 0.00 0.18 0.00 0.00 52.55 52.19 2klb s ASP 35 Cb -0.13 -2.56 2.34 0.00 1.07 0.00 0.00 42.92 43.64 2klb s ASP 35 CO -0.04 -1.97 2.35 0.17 1.18 0.00 0.00 175.17 176.86 2klb h LEU 36 N 14.56 0.00 -1.59 1.23 -0.00 -1.76 0.48 115.31 128.23 2klb h LEU 36 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2klb h LEU 36 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 2klb h LEU 36 CO 1.34 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 180.39 2klb n GLY 37 N -1.12 1.12 1.95 0.17 0.00 -1.26 -4.71 105.19 101.34 2klb n GLY 37 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.51 0.00 -2.27 4.61 0.00 -0.09 -5.04 120.51 118.23 2klb n ALA 38 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.17 2klb n ALA 38 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.88 3.55 -3.70 0.00 0.00 0.15 -4.89 120.51 112.74 2klb n ALA 39 Ca 0.00 -3.68 -0.20 0.00 0.00 0.00 0.00 53.44 49.57 2klb n ALA 39 Cb 0.00 -3.58 -0.17 0.00 0.00 0.00 0.00 19.45 15.71 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 5.33 0.28 0.22 0.00 -7.23 -1.26 -4.45 120.40 113.29 2klb s VAL 40 Ca 0.56 0.08 -0.23 0.00 -1.81 0.00 0.00 61.98 60.58 2klb s VAL 40 Cb 0.05 -0.40 0.05 0.00 0.56 0.00 0.00 36.38 36.64 2klb s VAL 40 CO 0.06 0.20 0.86 -0.62 -0.31 0.00 0.00 175.10 175.29 2klb s ASP 41 N 1.37 -0.19 0.35 4.85 2.15 -1.26 -5.02 116.67 118.92 2klb s ASP 41 Ca -0.05 -0.54 0.08 0.00 0.43 0.00 0.00 52.55 52.47 2klb s ASP 41 Cb -0.13 0.60 0.78 0.00 -0.30 0.00 0.00 42.92 43.87 2klb s ASP 41 CO -0.02 -1.12 1.88 0.25 -0.17 0.00 0.00 175.17 175.98 2klb h LEU 42 N 2.00 0.68 0.62 -1.34 7.12 -2.01 0.88 115.31 123.26 2klb h LEU 42 Ca -0.23 0.03 -0.03 0.00 0.13 0.00 0.00 57.88 57.79 2klb h LEU 42 Cb 1.24 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 41.26 2klb h LEU 42 CO 0.26 0.37 -0.37 1.56 -0.13 0.00 0.00 178.44 180.12 2klb h GLN 43 N 0.73 -0.90 -0.51 1.25 1.08 -1.99 0.82 115.11 115.59 2klb h GLN 43 Ca 0.43 0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.68 2klb h GLN 43 Cb 0.62 0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 28.23 2klb h GLN 43 CO -0.19 -0.60 0.27 0.93 -0.95 0.00 0.00 178.83 178.29 2klb h GLU 44 N -0.93 0.71 -0.75 1.46 3.07 -1.86 -1.17 114.58 115.12 2klb h GLU 44 Ca -0.08 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.70 2klb h GLU 44 Cb 0.75 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.48 2klb h GLU 44 CO 0.09 0.53 0.44 1.25 -1.40 0.00 0.00 179.01 179.92 2klb h LEU 45 N 0.71 0.91 -0.34 1.33 7.12 -0.51 0.21 115.31 124.73 2klb h LEU 45 Ca 0.18 -0.07 -0.09 0.00 0.13 0.00 0.00 57.88 58.03 2klb h LEU 45 Cb 0.04 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 39.94 2klb h LEU 45 CO -0.03 0.72 -0.12 -0.09 -0.13 0.00 0.00 178.44 178.79 2klb h ARG 46 N 1.02 0.69 0.00 1.25 2.43 -0.26 -2.78 114.38 116.72 2klb h ARG 46 Ca 0.27 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2klb h ARG 46 Cb -0.01 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2klb h ARG 46 CO -0.05 0.87 -0.08 0.93 -1.51 0.00 0.00 179.97 180.14 2klb h GLU 47 N 0.47 0.00 -0.77 0.20 5.08 -0.92 -0.93 114.58 117.71 2klb h GLU 47 Ca 0.08 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 2klb h GLU 47 Cb 0.64 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 2klb h GLU 47 CO 0.04 0.08 0.51 1.25 -1.00 0.00 0.00 179.01 179.88 2klb h LEU 48 N 0.00 0.72 -1.41 1.33 5.85 -0.67 -1.19 115.31 119.95 2klb h LEU 48 Ca -0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2klb h LEU 48 Cb 0.19 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2klb h LEU 48 CO 0.01 0.46 0.43 0.58 -0.34 0.00 0.00 178.44 179.58 2klb h VAL 49 N 0.82 1.08 -0.03 1.05 2.07 -1.19 0.31 116.25 120.35 2klb h VAL 49 Ca 0.33 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 2klb h VAL 49 Cb 0.26 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2klb h VAL 49 CO -0.12 0.14 -0.27 1.23 0.02 0.00 0.00 177.57 178.57 2klb h GLY 50 N 0.76 0.06 -2.44 2.17 0.00 -1.28 -2.58 103.07 99.76 2klb h GLY 50 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2klb h GLY 50 CO -0.08 0.04 0.00 0.54 0.00 0.00 0.00 176.54 177.04 2klb n ARG 51 N -4.20 2.59 0.34 4.80 3.00 -0.27 -4.62 116.66 118.29 2klb n ARG 51 Ca -0.02 -2.42 0.16 0.00 -0.01 0.00 0.00 57.85 55.56 2klb n ARG 51 Cb 0.33 -1.53 0.88 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 0.00 -1.52 0.00 1.35 -1.82 -3.45 112.91 107.48 2klb h THR 53 Ca 0.00 -0.44 0.09 0.00 -0.55 0.00 0.00 66.41 65.51 2klb h THR 53 Cb 0.56 1.35 -0.27 0.00 -1.73 0.00 0.00 68.15 68.05 2klb h THR 53 CO 0.00 0.00 0.49 -0.83 -0.25 0.00 0.00 175.52 174.93 2klb s GLY 54 N -3.95 -0.05 -0.15 5.82 0.00 0.39 -0.82 107.32 108.57 2klb s GLY 54 Ca 0.03 2.89 -0.20 0.00 0.00 0.00 0.00 44.72 47.44 2klb s GLY 54 CO 0.50 2.02 0.52 0.48 0.00 0.00 0.00 173.10 176.62 2klb s LEU 55 N 0.45 -0.00 -0.13 0.66 2.34 0.75 -1.92 118.68 120.83 2klb s LEU 55 Ca 0.01 0.86 0.01 0.00 0.06 0.00 0.00 54.13 55.07 2klb s LEU 55 Cb -0.05 1.86 0.02 0.00 -0.56 0.00 0.00 46.19 47.46 2klb s LEU 55 CO -0.09 -0.30 -0.14 0.54 -1.06 0.00 0.00 176.35 175.30 2klb s VAL 56 N -0.21 1.47 -0.17 1.48 0.11 0.29 -0.91 120.40 122.46 2klb s VAL 56 Ca -0.04 -0.59 -0.06 0.00 -2.93 0.00 0.00 61.98 58.36 2klb s VAL 56 Cb -0.03 -1.37 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 2klb s VAL 56 CO 0.03 0.44 0.03 -0.63 -3.33 0.00 0.00 175.10 171.64 2klb s ILE 57 N 1.28 4.53 -1.09 7.04 1.09 0.10 -0.76 121.20 133.39 2klb s ILE 57 Ca -0.00 -0.13 -0.09 0.00 -1.10 0.00 0.00 60.65 59.33 2klb s ILE 57 Cb -0.14 -3.02 -0.15 0.00 -1.06 0.00 0.00 42.46 38.09 2klb s ILE 57 CO -0.06 0.48 3.18 0.61 -0.10 0.00 0.00 174.94 179.04 2klb n GLY 58 N 3.48 3.86 1.08 6.18 0.00 0.02 -1.63 105.19 118.18 2klb n GLY 58 Ca -0.17 -1.41 0.14 0.00 0.00 0.00 0.00 46.02 44.58 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 3.20 -2.29 -3.45 1.61 2.81 -1.26 -4.84 117.12 112.90 2klb n MET 59 Ca 0.67 1.65 -0.27 0.00 -1.81 0.00 0.00 57.70 57.94 2klb n MET 59 Cb 0.45 -2.74 -0.11 0.00 -0.71 0.00 0.00 33.22 30.11 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 -6.42 2.70 0.82 7.83 0.01 -1.26 -5.02 113.70 112.36 2klb s SER 60 Ca 0.00 -2.07 -0.14 0.00 1.31 0.00 0.00 55.95 55.06 2klb s SER 60 Cb 0.00 -0.24 0.06 0.00 0.21 0.00 0.00 66.02 66.05 2klb s SER 60 CO 0.00 -0.31 0.98 -2.65 0.41 0.00 0.00 173.24 171.68 2klb n PRO 61 N 4.11 0.10 -0.36 12.44 -0.02 -1.26 -4.61 135.00 145.40 2klb n PRO 61 Ca 0.11 0.10 -0.04 0.00 -2.02 0.00 0.00 63.50 61.66 2klb n PRO 61 Cb 0.38 -2.26 0.01 0.00 -0.02 0.00 0.00 33.50 31.62 2klb n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2klb h ALA 62 N -0.97 -0.00 0.00 3.55 0.00 -1.61 0.32 119.26 120.55 2klb h ALA 62 Ca -0.46 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2klb h ALA 62 Cb 1.30 1.04 -0.00 0.00 0.00 0.00 0.00 17.79 20.13 2klb h ALA 62 CO 0.43 -0.70 -0.16 0.00 0.00 0.00 0.00 179.25 178.83 2klb h ALA 63 N 1.15 1.33 -0.23 0.00 0.00 -1.90 -2.85 119.26 116.75 2klb h ALA 63 Ca 0.29 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 2klb h ALA 63 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2klb h ALA 63 CO -0.93 0.20 -0.58 1.03 0.00 0.00 0.00 179.25 178.97 2klb h SER 64 N 0.00 0.91 -0.60 0.00 0.87 -0.71 -3.24 113.55 110.77 2klb h SER 64 Ca -0.00 -0.57 0.17 0.00 -1.23 0.00 0.00 61.79 60.16 2klb h SER 64 Cb 0.40 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2klb h SER 64 CO 0.02 1.31 0.46 0.00 -0.53 0.00 0.00 176.83 178.09 2klb h ALA 65 N 0.62 2.51 0.22 6.23 0.00 -1.13 -2.88 119.26 124.84 2klb h ALA 65 Ca -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2klb h ALA 65 Cb 1.20 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 2klb h ALA 65 CO 0.13 -0.77 -0.51 0.00 0.00 0.00 0.00 179.25 178.10 2klb h ALA 66 N 1.65 -1.00 -0.45 0.00 0.00 -1.67 -1.11 119.26 116.67 2klb h ALA 66 Ca 0.28 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2klb h ALA 66 Cb 1.20 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 19.80 2klb h ALA 66 CO -0.00 -1.13 -0.01 1.03 0.00 0.00 0.00 179.25 179.14 2klb h SER 67 N -0.81 0.71 -0.35 0.00 0.87 -1.73 -2.95 113.55 109.29 2klb h SER 67 Ca -0.02 -0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.38 2klb h SER 67 Cb 0.78 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 2klb h SER 67 CO -0.23 0.79 0.23 0.40 -0.53 0.00 0.00 176.83 177.50 2klb h ILE 68 N 0.70 1.07 -0.86 2.23 2.04 -1.36 -1.68 117.51 119.65 2klb h ILE 68 Ca 0.14 -0.15 0.17 0.00 1.00 0.00 0.00 64.86 66.01 2klb h ILE 68 Cb 0.44 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 2klb h ILE 68 CO 0.02 0.08 0.56 1.56 0.00 0.00 0.00 178.15 180.37 2klb h GLN 69 N 0.45 0.49 0.00 2.37 1.08 -1.03 0.14 115.11 118.60 2klb h GLN 69 Ca 0.13 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 2klb h GLN 69 Cb -0.01 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2klb h GLN 69 CO -0.03 0.32 -0.07 0.78 -0.95 0.00 0.00 178.83 178.89 2klb h GLY 70 N 0.50 0.00 0.00 3.46 0.00 -1.45 -3.15 103.07 102.43 2klb h GLY 70 Ca 0.44 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.42 2klb h GLY 70 CO -0.18 0.00 -2.33 0.00 0.00 0.00 0.00 176.54 174.04 2klb n ALA 71 N -2.17 1.52 -0.26 3.60 0.00 0.24 -4.65 120.51 118.79 2klb n ALA 71 Ca -0.01 -1.24 0.06 0.00 0.00 0.00 0.00 53.44 52.26 2klb n ALA 71 Cb 0.24 -0.14 0.20 0.00 0.00 0.00 0.00 19.45 19.74 2klb n ALA 71 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2klb h LEU 72 N 0.00 0.16 -1.44 0.00 3.38 -0.86 0.81 115.31 117.36 2klb h LEU 72 Ca -0.52 0.13 0.19 0.00 0.09 0.00 0.00 57.88 57.77 2klb h LEU 72 Cb 2.13 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 42.96 2klb h LEU 72 CO 0.01 0.02 0.59 0.28 0.09 0.00 0.00 178.44 179.44 2klb h SER 73 N 0.35 0.47 0.09 -0.43 0.02 -1.83 0.40 113.55 112.63 2klb h SER 73 Ca 0.43 0.05 -0.23 0.00 -0.84 0.00 0.00 61.79 61.20 2klb h SER 73 Cb 0.72 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 2klb h SER 73 CO -0.47 0.20 -1.18 0.74 -1.14 0.00 0.00 176.83 174.98 2klb h THR 74 N 0.48 1.15 -0.12 -2.27 2.02 -1.22 -3.34 112.91 109.60 2klb h THR 74 Ca 0.47 -2.38 0.03 0.00 0.77 0.00 0.00 66.41 65.30 2klb h THR 74 Cb 1.08 2.78 -0.03 0.00 -1.74 0.00 0.00 68.15 70.24 2klb h THR 74 CO -0.20 0.65 -0.04 0.40 0.37 0.00 0.00 175.52 176.69 2klb h ILE 75 N -0.47 0.84 -0.01 3.11 2.04 -0.51 0.14 117.51 122.65 2klb h ILE 75 Ca -0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2klb h ILE 75 Cb 1.61 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.53 2klb h ILE 75 CO 0.03 0.00 0.02 -0.07 0.00 0.00 0.00 178.15 178.13 2klb h LEU 76 N -0.02 0.00 0.00 1.44 3.38 -1.13 0.64 115.31 119.61 2klb h LEU 76 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2klb h LEU 76 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2klb h LEU 76 CO -0.14 0.00 -1.25 0.61 0.09 0.00 0.00 178.44 177.75 2klb n GLY 77 N -1.22 -1.13 0.09 0.83 0.00 -0.63 -4.30 105.19 98.83 2klb n GLY 77 Ca -0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 2klb n GLY 77 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2klb h SER 78 N 0.00 0.00 -3.19 1.61 0.02 0.14 -3.47 113.55 108.66 2klb h SER 78 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2klb h SER 78 Cb 0.76 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.32 2klb h SER 78 CO 0.00 0.72 0.65 0.68 -1.14 0.00 0.00 176.83 177.74 2klb s VAL 79 N -2.82 3.47 0.77 2.27 -7.23 -0.22 -5.03 120.40 111.61 2klb s VAL 79 Ca -0.03 1.11 -0.09 0.00 -1.81 0.00 0.00 61.98 61.16 2klb s VAL 79 Cb 0.08 -3.71 0.08 0.00 0.56 0.00 0.00 36.38 33.39 2klb s VAL 79 CO 0.81 0.12 1.11 0.21 -0.31 0.00 0.00 175.10 177.03 2klb s ASN 80 N 0.79 4.58 0.43 4.85 3.84 -1.26 -4.95 114.94 123.22 2klb s ASN 80 Ca 0.60 0.59 0.23 0.00 0.21 0.00 0.00 52.86 54.48 2klb s ASN 80 Cb -0.35 -1.13 1.21 0.00 -0.55 0.00 0.00 41.25 40.43 2klb s ASN 80 CO 0.33 -1.80 1.77 -0.08 -2.79 0.00 0.00 177.10 174.53 2klb h GLU 81 N -0.86 0.29 -2.51 0.43 4.81 -1.96 -3.41 114.58 111.37 2klb h GLU 81 Ca -0.45 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.67 2klb h GLU 81 Cb 1.32 -0.07 -0.23 0.00 0.63 0.00 0.00 28.75 30.41 2klb h GLU 81 CO 0.62 0.19 -0.11 -1.59 -0.73 0.00 0.00 179.01 177.39 2klb s LYS 82 N -5.37 0.63 0.35 1.92 -2.85 -1.26 -4.43 119.74 108.73 2klb s LYS 82 Ca -0.08 0.62 -0.10 0.00 -1.00 0.00 0.00 55.97 55.41 2klb s LYS 82 Cb 0.25 0.30 0.04 0.00 -2.06 0.00 0.00 37.83 36.36 2klb s LYS 82 CO 0.80 -0.09 0.65 0.00 0.10 0.00 0.00 175.35 176.81 2klb n GLN 83 N 2.58 0.94 -2.88 1.78 0.00 -1.26 -5.06 117.38 113.48 2klb n GLN 83 Ca -0.14 -2.21 -0.43 0.00 0.00 0.00 0.00 57.00 54.21 2klb n GLN 83 Cb 0.56 2.55 -0.03 0.00 0.00 0.00 0.00 30.24 33.33 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 -2.19 3.27 -0.12 2.61 0.00 -0.00 -4.47 121.76 120.86 2klb s ALA 84 Ca 0.18 -2.59 -0.05 0.00 0.00 0.00 0.00 51.96 49.50 2klb s ALA 84 Cb -0.04 -4.06 -0.04 0.00 0.00 0.00 0.00 23.12 18.99 2klb s ALA 84 CO 0.13 -3.01 0.07 0.14 0.00 0.00 0.00 175.76 173.10 2klb s VAL 85 N 3.09 4.92 0.14 0.00 -7.23 -1.26 -0.18 120.40 119.87 2klb s VAL 85 Ca 0.32 -0.01 -0.00 0.00 -1.81 0.00 0.00 61.98 60.48 2klb s VAL 85 Cb -0.06 -3.13 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 2klb s VAL 85 CO -0.07 0.58 0.03 -0.83 -0.31 0.00 0.00 175.10 174.51 2klb s GLY 86 N -0.70 1.01 0.02 2.32 0.00 -0.08 -4.51 107.32 105.39 2klb s GLY 86 Ca 0.12 -1.48 0.02 0.00 0.00 0.00 0.00 44.72 43.38 2klb s GLY 86 CO 0.03 -1.41 -0.07 -0.42 0.00 0.00 0.00 173.10 171.23 2klb s ILE 87 N -3.93 0.54 -0.20 0.90 -1.09 -1.26 -0.72 121.20 115.44 2klb s ILE 87 Ca 0.23 -0.74 -0.11 0.00 -2.23 0.00 0.00 60.65 57.80 2klb s ILE 87 Cb 0.07 -0.54 -0.05 0.00 -1.58 0.00 0.00 42.46 40.36 2klb s ILE 87 CO 0.01 -0.15 0.17 -0.36 -1.23 0.00 0.00 174.94 173.38 2klb s PHE 88 N -0.84 3.40 -1.19 3.97 0.08 -0.64 -4.67 117.98 118.09 2klb s PHE 88 Ca -0.04 0.37 -0.22 0.00 0.12 0.00 0.00 56.93 57.15 2klb s PHE 88 Cb -0.07 -2.22 -0.08 0.00 -0.57 0.00 0.00 43.02 40.09 2klb s PHE 88 CO 0.00 0.24 1.93 -1.21 -0.10 0.00 0.00 175.22 176.08 2klb s GLU 89 N 0.50 2.56 0.35 0.44 8.01 -1.26 -4.18 118.70 125.11 2klb s GLU 89 Ca 0.10 -1.20 -0.00 0.00 0.01 0.00 0.00 54.97 53.87 2klb s GLU 89 Cb -0.12 -5.26 -0.00 0.00 -4.31 0.00 0.00 34.13 24.45 2klb s GLU 89 CO 0.00 -3.91 0.45 -0.08 0.01 0.00 0.00 175.26 171.72 2klb s THR 90 N 10.75 0.00 0.00 3.63 -1.32 -1.26 -4.90 115.64 122.54 2klb s THR 90 Ca 0.68 -1.67 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 2klb s THR 90 Cb -0.01 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 2klb s THR 90 CO 0.13 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.15 2klb n GLY 91 N -0.59 1.65 0.00 6.08 0.00 -1.26 -4.81 105.19 106.27 2klb n GLY 91 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 -0.21 2.07 -0.02 0.00 -1.26 -3.22 105.19 102.54 2klb n GLY 92 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 2klb n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2klb n GLY 93 N 0.00 1.48 3.32 -0.02 0.00 -1.26 -4.74 105.19 103.97 2klb n GLY 93 Ca 0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2klb n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2klb s ASP 94 N -1.23 5.54 0.08 1.61 1.11 -1.26 -5.06 116.67 117.46 2klb s ASP 94 Ca 0.07 -1.08 -0.26 0.00 0.18 0.00 0.00 52.55 51.46 2klb s ASP 94 Cb 0.29 -1.95 0.08 0.00 1.07 0.00 0.00 42.92 42.40 2klb s ASP 94 CO -0.08 -0.36 0.66 -0.62 1.18 0.00 0.00 175.17 175.95 2klb s ASP 95 N 1.49 -0.56 -0.17 0.27 2.15 -1.26 -1.40 116.67 117.18 2klb s ASP 95 Ca 0.00 0.19 -0.13 0.00 0.43 0.00 0.00 52.55 53.03 2klb s ASP 95 Cb -0.19 0.55 -0.07 0.00 -0.30 0.00 0.00 42.92 42.91 2klb s ASP 95 CO 0.05 -0.83 -0.29 -0.62 -0.17 0.00 0.00 175.17 173.31 2klb n GLU 96 N -0.02 0.46 0.00 4.34 4.71 -1.26 -4.65 120.64 124.22 2klb n GLU 96 Ca -0.16 0.19 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 2klb n GLU 96 Cb 0.62 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 29.77 2klb n GLU 96 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2klb n PRO 97 N -4.18 0.86 -0.16 3.49 -0.02 -1.26 -4.52 135.00 129.21 2klb n PRO 97 Ca -0.26 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.12 2klb n PRO 97 Cb 0.59 -1.30 -0.08 0.00 -0.02 0.00 0.00 33.50 32.70 2klb n PRO 97 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2klb h ILE 98 N 0.00 0.00 0.03 4.25 2.10 -2.00 -2.56 117.51 119.33 2klb h ILE 98 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 2klb h ILE 98 Cb 0.30 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.03 2klb h ILE 98 CO 0.00 0.00 -0.01 0.44 -1.08 0.00 0.00 178.15 177.50 2klb h ASP 99 N -0.23 -0.03 -0.78 2.19 3.32 -1.97 -0.69 116.42 118.22 2klb h ASP 99 Ca 0.07 -0.13 0.12 0.00 0.02 0.00 0.00 57.03 57.11 2klb h ASP 99 Cb 0.42 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.90 2klb h ASP 99 CO -0.53 0.11 0.40 -0.65 -1.72 0.00 0.00 179.24 176.86 2klb h PRO 100 N -0.17 0.62 -0.19 3.56 0.11 -1.90 -0.46 132.00 133.56 2klb h PRO 100 Ca -0.00 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 2klb h PRO 100 Cb 0.16 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 2klb h PRO 100 CO 0.01 0.41 -0.23 -0.07 -0.21 0.00 0.00 178.00 177.91 2klb h LEU 101 N 0.63 0.53 -0.61 2.35 4.07 -1.29 -2.75 115.31 118.25 2klb h LEU 101 Ca 0.40 -0.50 0.07 0.00 0.08 0.00 0.00 57.88 57.93 2klb h LEU 101 Cb 0.48 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.02 2klb h LEU 101 CO -0.31 0.92 0.30 -0.07 -1.08 0.00 0.00 178.44 178.21 2klb h LEU 102 N 0.15 0.41 -0.93 1.67 3.38 -0.82 -1.82 115.31 117.35 2klb h LEU 102 Ca 0.03 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.11 2klb h LEU 102 Cb 0.79 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 2klb h LEU 102 CO 0.05 0.26 0.59 -1.28 0.09 0.00 0.00 178.44 178.16 2klb h SER 103 N 0.56 0.92 -0.98 -0.43 0.87 -1.05 -1.14 113.55 112.29 2klb h SER 103 Ca 0.28 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.91 2klb h SER 103 Cb 0.23 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 61.95 2klb h SER 103 CO -0.21 0.58 0.64 0.50 -0.53 0.00 0.00 176.83 177.81 2klb h LYS 104 N 1.05 1.16 -0.23 2.24 1.63 -1.03 -0.24 116.57 121.15 2klb h LYS 104 Ca 0.41 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 60.13 2klb h LYS 104 Cb 0.20 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 2klb h LYS 104 CO -0.18 0.77 0.08 0.74 -3.45 0.00 0.00 179.45 177.40 2klb h PHE 105 N 1.19 0.31 -0.12 1.91 0.04 -0.82 -1.94 116.94 117.51 2klb h PHE 105 Ca 0.41 -0.01 -0.22 0.00 2.80 0.00 0.00 57.97 60.96 2klb h PHE 105 Cb 0.10 -0.10 0.01 0.00 2.20 0.00 0.00 35.95 38.16 2klb h PHE 105 CO -0.00 0.26 -0.78 0.00 -0.60 0.00 0.00 178.31 177.20 2klb h ARG 106 N 0.32 0.73 -0.73 1.51 -0.00 -0.86 0.34 114.38 115.68 2klb h ARG 106 Ca 0.08 -0.63 0.06 0.00 -0.50 0.00 0.00 59.98 58.99 2klb h ARG 106 Cb 0.09 0.14 -0.06 0.00 0.00 0.00 0.00 29.97 30.15 2klb h ARG 106 CO -0.01 1.24 0.42 -0.91 0.00 0.00 0.00 179.97 180.71 2klb h ASN 107 N 0.44 0.63 0.11 7.04 -0.26 -0.49 -3.19 115.58 119.86 2klb h ASN 107 Ca -0.06 0.03 -0.34 0.00 -0.56 0.00 0.00 56.30 55.37 2klb h ASN 107 Cb 1.42 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 38.56 2klb h ASN 107 CO 0.16 0.40 -1.84 -0.07 -1.06 0.00 0.00 177.43 175.02 2klb h LEU 108 N 0.76 0.36 -0.93 1.61 3.38 -1.44 -3.50 115.31 115.56 2klb h LEU 108 Ca 0.33 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2klb h LEU 108 Cb 0.21 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2klb h LEU 108 CO -0.19 1.79 0.00 0.61 0.09 0.00 0.00 178.44 180.74 2klb n GLY 109 N 1.89 0.80 3.96 0.83 0.00 0.11 -4.78 105.19 108.00 2klb n GLY 109 Ca -0.31 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.93 3.92 0.27 0.99 1.43 -0.68 -4.91 118.68 118.76 2klb s LEU 110 Ca 0.00 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.97 2klb s LEU 110 Cb 0.00 -3.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.08 2klb s LEU 110 CO 0.00 -0.44 1.39 -0.89 0.23 0.00 0.00 176.35 176.64 2klb s THR 111 N -2.31 2.73 -0.35 5.49 2.01 -1.26 -4.96 115.64 116.98 2klb s THR 111 Ca 0.43 0.64 0.00 0.00 0.31 0.00 0.00 61.69 63.07 2klb s THR 111 Cb -0.10 -3.41 0.11 0.00 0.01 0.00 0.00 72.50 69.12 2klb s THR 111 CO 0.34 0.12 0.14 0.42 -0.69 0.00 0.00 174.62 174.95 2klb s THR 112 N -0.32 0.97 0.00 -0.82 -4.23 -1.26 -4.69 115.64 105.28 2klb s THR 112 Ca 0.56 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 2klb s THR 112 Cb -0.41 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 71.72 2klb s THR 112 CO 0.46 -0.76 0.54 0.00 -0.54 0.00 0.00 174.62 174.31 2klb n ALA 113 N 4.44 -0.03 -3.32 3.99 0.00 -1.26 -4.76 120.51 119.57 2klb n ALA 113 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 2klb n ALA 113 Cb 0.40 0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.14 -0.56 -0.11 0.00 5.36 -1.26 -5.04 117.98 115.22 2klb s PHE 114 Ca 0.00 -0.66 0.01 0.00 -0.96 0.00 0.00 56.93 55.32 2klb s PHE 114 Cb 0.00 -0.26 0.16 0.00 -0.34 0.00 0.00 43.02 42.58 2klb s PHE 114 CO 0.00 -1.01 1.28 -0.35 -1.46 0.00 0.00 175.22 173.67 2klb n PRO 115 N 4.20 1.32 -3.15 10.12 -0.04 -1.26 -4.62 135.00 141.56 2klb n PRO 115 Ca 0.12 -0.75 0.05 0.00 -0.04 0.00 0.00 63.50 62.87 2klb n PRO 115 Cb 0.48 -1.29 -0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2klb n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2klb s ALA 116 N -0.83 -2.93 -0.12 0.55 0.00 -1.26 -5.16 121.76 112.01 2klb s ALA 116 Ca 0.14 1.25 -0.18 0.00 0.00 0.00 0.00 51.96 53.18 2klb s ALA 116 Cb 0.12 -2.59 0.04 0.00 0.00 0.00 0.00 23.12 20.70 2klb s ALA 116 CO 0.03 -1.83 0.46 -1.50 0.00 0.00 0.00 175.76 172.91 2klb s ILE 117 N 2.88 0.01 -0.90 0.00 2.07 -1.26 -5.11 121.20 118.90 2klb s ILE 117 Ca 0.16 -0.11 -0.25 0.00 -1.41 0.00 0.00 60.65 59.04 2klb s ILE 117 Cb -0.08 -0.68 0.04 0.00 0.13 0.00 0.00 42.46 41.86 2klb s ILE 117 CO -0.24 -0.06 1.43 0.00 -1.91 0.00 0.00 174.94 174.16 2klb s ARG 118 N -0.29 3.36 -0.30 3.50 1.70 -1.26 -4.87 118.95 120.79 2klb s ARG 118 Ca -0.04 -0.70 -0.09 0.00 -0.47 0.00 0.00 55.73 54.43 2klb s ARG 118 Cb -0.03 -4.88 -0.01 0.00 -0.57 0.00 0.00 34.95 29.46 2klb s ARG 118 CO 0.03 -2.26 0.13 0.42 -1.08 0.00 0.00 175.30 172.53 2klb s ILE 119 N 5.66 4.46 -0.09 4.99 -1.09 -1.26 -5.00 121.20 128.87 2klb s ILE 119 Ca 0.44 -0.40 -0.06 0.00 -2.23 0.00 0.00 60.65 58.40 2klb s ILE 119 Cb -0.04 -3.24 -0.25 0.00 -1.58 0.00 0.00 42.46 37.35 2klb s ILE 119 CO 0.01 0.13 3.58 1.17 -1.23 0.00 0.00 174.94 178.59 2klb n LYS 120 N 4.95 2.09 0.00 2.79 3.00 -1.26 -4.34 118.16 125.39 2klb n LYS 120 Ca -0.14 -1.09 0.00 0.00 -0.00 0.00 0.00 58.31 57.07 2klb n LYS 120 Cb 0.49 -2.04 0.00 0.00 0.00 0.00 0.00 35.03 33.48 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 2.50 0.00 -2.98 1.64 7.27 -1.20 -4.86 117.38 119.75 2klb n GLN 121 Ca 0.45 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 57.11 2klb n GLN 121 Cb 0.88 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.48 2klb n GLN 121 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2klb s THR 122 N 0.00 4.91 0.27 1.69 -4.23 -1.26 -3.98 115.64 113.03 2klb s THR 122 Ca 0.00 1.40 -0.30 0.00 -1.18 0.00 0.00 61.69 61.62 2klb s THR 122 Cb 0.00 -4.05 -0.14 0.00 1.34 0.00 0.00 72.50 69.66 2klb s THR 122 CO 0.00 -0.01 1.18 -2.65 -0.54 0.00 0.00 174.62 172.60 2klb n PRO 123 N 5.71 1.61 -2.80 3.99 -0.02 -1.26 -5.00 135.00 137.24 2klb n PRO 123 Ca 0.03 0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 61.86 2klb n PRO 123 Cb 0.48 -2.06 0.03 0.00 -0.02 0.00 0.00 33.50 31.92 2klb n PRO 123 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2klb s THR 124 N -0.69 3.17 0.44 3.45 -4.23 -1.26 -4.85 115.64 111.67 2klb s THR 124 Ca 0.63 -0.64 0.10 0.00 -1.18 0.00 0.00 61.69 60.60 2klb s THR 124 Cb -0.69 -3.17 0.26 0.00 1.34 0.00 0.00 72.50 70.23 2klb s THR 124 CO 0.57 -0.12 2.07 -0.33 -0.54 0.00 0.00 174.62 176.27 2klb h GLU 125 N 0.23 0.36 -0.03 3.99 5.08 -2.03 -1.86 114.58 120.32 2klb h GLU 125 Ca -0.43 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 57.75 2klb h GLU 125 Cb 1.28 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2klb h GLU 125 CO 0.53 0.26 -0.68 -0.91 -1.00 0.00 0.00 179.01 177.22 2klb h ASN 126 N 0.37 0.16 -0.96 1.42 2.35 -2.02 -3.22 115.58 113.67 2klb h ASN 126 Ca 0.10 -0.10 0.17 0.00 -0.55 0.00 0.00 56.30 55.92 2klb h ASN 126 Cb -0.00 -0.05 -0.09 0.00 0.05 0.00 0.00 38.32 38.24 2klb h ASN 126 CO -0.02 0.79 0.61 0.74 -1.65 0.00 0.00 177.43 177.90 2klb h THR 127 N 0.09 0.76 -0.89 2.81 2.02 -1.70 -0.73 112.91 115.27 2klb h THR 127 Ca -0.01 -0.25 0.15 0.00 0.77 0.00 0.00 66.41 67.07 2klb h THR 127 Cb 1.21 -0.02 -0.09 0.00 -1.74 0.00 0.00 68.15 67.50 2klb h THR 127 CO 0.10 0.13 0.49 1.88 0.37 0.00 0.00 175.52 178.48 2klb h TYR 128 N 0.72 0.86 -0.24 3.16 -1.99 -1.59 -0.63 116.97 117.26 2klb h TYR 128 Ca 0.52 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 61.25 2klb h TYR 128 Cb 0.85 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 39.33 2klb h TYR 128 CO -0.00 0.23 0.02 -0.22 -0.00 0.00 0.00 178.16 178.19 2klb h LYS 129 N 0.69 0.40 0.12 4.88 3.64 -1.32 -0.04 116.57 124.96 2klb h LYS 129 Ca 0.48 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 2klb h LYS 129 Cb 0.66 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2klb h LYS 129 CO -0.35 0.56 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.26 2klb h LEU 130 N 0.20 -0.14 -1.62 5.20 -0.00 -1.37 -2.07 115.31 115.51 2klb h LEU 130 Ca 0.07 -0.20 -0.04 0.00 -0.00 0.00 0.00 57.88 57.71 2klb h LEU 130 Cb 0.36 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 2klb h LEU 130 CO 0.01 0.13 -0.19 0.00 -0.00 0.00 0.00 178.44 178.38 2klb h GLU 132 N 0.00 -0.89 0.00 0.00 4.22 -0.88 -0.36 114.58 116.67 2klb h GLU 132 Ca -0.00 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.50 2klb h GLU 132 Cb 0.34 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2klb h GLU 132 CO 0.03 -0.56 0.00 0.39 -2.18 0.00 0.00 179.01 176.68 2klb n GLU 133 N -5.43 0.10 -0.04 1.92 1.02 -0.79 -0.63 120.64 116.79 2klb n GLU 133 Ca -0.13 0.36 -0.01 0.00 -0.02 0.00 0.00 57.16 57.36 2klb n GLU 133 Cb 0.38 -1.69 -0.00 0.00 -0.02 0.00 0.00 31.44 30.11 2klb n GLU 133 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2klb h ALA 134 N 2.35 0.00 -0.67 0.62 0.00 -0.89 -3.34 119.26 117.32 2klb h ALA 134 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2klb h ALA 134 Cb 0.28 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2klb h ALA 134 CO 0.00 0.06 0.34 0.78 0.00 0.00 0.00 179.25 180.43 2klb h GLY 135 N -0.72 1.02 0.53 0.00 0.00 -0.96 -2.82 103.07 100.13 2klb h GLY 135 Ca 0.00 -0.49 0.16 0.00 0.00 0.00 0.00 47.33 47.00 2klb h GLY 135 CO 0.00 0.47 0.56 -0.84 0.00 0.00 0.00 176.54 176.72 2klb h THR 136 N 0.93 0.79 0.17 4.70 2.02 -1.07 0.70 112.91 121.14 2klb h THR 136 Ca 0.23 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 2klb h THR 136 Cb 0.09 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 2klb h THR 136 CO -0.03 0.10 -0.08 -0.78 0.37 0.00 0.00 175.52 175.10 2klb h ASP 137 N 0.55 -0.19 0.33 4.18 3.58 -1.62 0.13 116.42 123.37 2klb h ASP 137 Ca 0.43 -0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.73 2klb h ASP 137 Cb 0.85 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 2klb h ASP 137 CO -0.18 -0.13 -0.59 -0.07 -2.88 0.00 0.00 179.24 175.39 2klb h LEU 138 N -0.23 0.30 0.42 2.28 -0.00 -1.49 -0.15 115.31 116.44 2klb h LEU 138 Ca -0.02 -0.17 -0.02 0.00 -0.00 0.00 0.00 57.88 57.67 2klb h LEU 138 Cb 0.18 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 2klb h LEU 138 CO 0.04 0.83 -0.20 1.23 -0.00 0.00 0.00 178.44 180.34 2klb h GLY 139 N 1.42 -0.58 2.00 0.83 0.00 -0.68 -3.08 103.07 102.99 2klb h GLY 139 Ca -0.00 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2klb h GLY 139 CO 0.09 -0.21 0.00 -1.06 0.00 0.00 0.00 176.54 175.36 2klb n GLN 140 N -5.25 0.23 -0.33 4.80 6.02 0.42 -3.20 117.38 120.07 2klb n GLN 140 Ca -0.11 0.33 0.17 0.00 -0.01 0.00 0.00 57.00 57.39 2klb n GLN 140 Cb 0.28 -1.85 0.41 0.00 1.02 0.00 0.00 30.24 30.09 2klb n GLN 140 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 2klb h TRP 141 N 0.00 0.88 0.45 1.08 7.01 -0.91 0.14 115.95 124.59 2klb h TRP 141 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2klb h TRP 141 Cb 0.54 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 2klb h TRP 141 CO 0.00 0.15 -0.46 0.28 -2.79 0.00 0.00 178.44 175.62 2klb h VAL 142 N 0.59 0.00 0.00 2.65 2.07 -1.67 -1.98 116.25 117.91 2klb h VAL 142 Ca 0.58 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 68.04 2klb h VAL 142 Cb 1.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2klb h VAL 142 CO -0.35 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 176.97 2klb h THR 143 N -0.91 0.70 -0.41 2.57 1.03 -1.59 0.85 112.91 115.15 2klb h THR 143 Ca -0.06 -1.19 -0.12 0.00 -0.01 0.00 0.00 66.41 65.03 2klb h THR 143 Cb 0.79 1.76 -0.01 0.00 -1.07 0.00 0.00 68.15 69.62 2klb h THR 143 CO -0.06 0.27 -0.23 0.03 -0.01 0.00 0.00 175.52 175.52 2klb h ARG 144 N 0.00 0.83 0.00 0.00 3.08 -0.61 0.25 114.38 117.93 2klb h ARG 144 Ca -0.00 -0.34 -0.13 0.00 0.07 0.00 0.00 59.98 59.58 2klb h ARG 144 Cb 0.74 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 2klb h ARG 144 CO 0.04 0.97 -0.69 0.22 -1.07 0.00 0.00 179.97 179.44 2klb h ASP 145 N 0.72 0.00 0.94 7.04 3.58 -1.20 -3.37 116.42 124.13 2klb h ASP 145 Ca 0.10 -0.70 0.00 0.00 0.42 0.00 0.00 57.03 56.85 2klb h ASP 145 Cb 0.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2klb h ASP 145 CO 0.06 1.25 0.00 0.03 -2.88 0.00 0.00 179.24 177.70 2klb h ARG 146 N -1.00 0.00 0.00 0.28 3.08 -0.92 -3.47 114.38 112.35 2klb h ARG 146 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2klb h ARG 146 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2klb h ARG 146 CO -0.11 0.00 0.00 -0.11 -1.07 0.00 0.00 179.97 178.68 2klb n LEU 147 N -2.93 0.00 -1.18 3.04 7.94 0.89 -4.59 117.00 120.18 2klb n LEU 147 Ca 0.01 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.78 2klb n LEU 147 Cb 0.29 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.18 2klb n LEU 147 CO 0.26 0.00 -0.13 -0.62 -1.11 0.00 0.00 177.39 175.79 2klb n GLU 148 N 0.00 -1.50 -1.63 1.96 4.71 -1.26 -1.60 120.64 121.32 2klb n GLU 148 Ca 0.00 0.87 -0.18 0.00 -0.01 0.00 0.00 57.16 57.84 2klb n GLU 148 Cb 0.00 -5.13 -0.07 0.00 -1.01 0.00 0.00 31.44 25.23 2klb n GLU 148 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2klb n HIS 149 N -2.00 -0.27 -2.68 -0.32 -0.00 -1.26 -3.70 115.22 104.98 2klb n HIS 149 Ca -0.13 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.04 2klb n HIS 149 Cb 0.52 -3.18 -0.01 0.00 -0.12 0.00 0.00 29.99 27.20 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 -2.39 -4.02 -1.76 1.57 8.25 -0.63 -4.83 115.22 111.42 2klb n HIS 150 Ca -0.18 1.85 -0.41 0.00 -0.26 0.00 0.00 57.72 58.71 2klb n HIS 150 Cb 0.60 -3.99 -0.01 0.00 1.12 0.00 0.00 29.99 27.71 2klb n HIS 150 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2klb n HIS 151 N 0.80 3.00 0.00 4.41 -0.00 -1.24 -4.85 115.22 117.34 2klb n HIS 151 Ca -0.05 -2.96 0.00 0.00 -0.00 0.00 0.00 57.72 54.72 2klb n HIS 151 Cb 0.07 -2.34 0.00 0.00 -0.00 0.00 0.00 29.99 27.72 2klb n HIS 151 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2klb n HIS 152 N 4.46 0.00 -2.23 1.57 8.25 -1.26 -4.69 115.22 121.31 2klb n HIS 152 Ca 0.58 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 58.02 2klb n HIS 152 Cb 0.32 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.41 2klb n HIS 152 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2klb n HIS 153 N 0.00 -2.79 -1.81 4.41 -0.00 -1.22 -5.06 115.22 108.75 2klb n HIS 153 Ca 0.00 1.50 0.00 0.00 0.46 0.00 0.00 57.72 59.68 2klb n HIS 153 Cb 0.00 -3.09 0.00 0.00 -0.12 0.00 0.00 29.99 26.78 2klb n HIS 153 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38