#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 0.00-10.99 -2.62 0.44 2.08 -1.26 -3.34 119.36 103.68 2klb n ILE 2 Ca 0.00 2.06 -0.43 0.00 0.56 0.00 0.00 62.75 64.94 2klb n ILE 2 Cb 0.00 -6.20 -0.02 0.00 -0.75 0.00 0.00 39.64 32.66 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 -0.85 1.26 -0.55 7.39 0.00 -0.90 -2.25 107.32 111.43 2klb s GLY 3 Ca -0.16 -0.62 -0.23 0.00 0.00 0.00 0.00 44.72 43.72 2klb s GLY 3 CO 0.66 2.41 0.88 0.54 0.00 0.00 0.00 173.10 177.59 2klb s VAL 4 N 4.53 4.48 -0.59 1.40 0.11 0.17 -0.55 120.40 129.95 2klb s VAL 4 Ca 0.45 0.04 -0.16 0.00 -2.93 0.00 0.00 61.98 59.39 2klb s VAL 4 Cb -0.07 -4.51 0.14 0.00 -1.53 0.00 0.00 36.38 30.41 2klb s VAL 4 CO 0.29 -1.09 0.56 -0.36 -3.33 0.00 0.00 175.10 171.18 2klb s PHE 5 N 3.69 3.32 0.25 1.54 0.40 0.97 -2.16 117.98 125.99 2klb s PHE 5 Ca 0.26 -1.39 0.11 0.00 -0.60 0.00 0.00 56.93 55.32 2klb s PHE 5 Cb -0.14 -3.82 -0.05 0.00 0.51 0.00 0.00 43.02 39.52 2klb s PHE 5 CO 0.17 -1.04 -0.19 1.52 0.70 0.00 0.00 175.22 176.38 2klb s TYR 6 N 1.44 2.35 -0.48 0.36 1.13 -1.17 -0.97 117.35 120.01 2klb s TYR 6 Ca 0.06 -0.32 -0.11 0.00 -1.41 0.00 0.00 57.07 55.29 2klb s TYR 6 Cb -0.26 -1.07 0.11 0.00 -1.10 0.00 0.00 41.96 39.64 2klb s TYR 6 CO 0.01 0.63 0.37 0.08 -2.51 0.00 0.00 175.55 174.14 2klb s VAL 7 N -2.20 4.53 0.48 -3.49 1.01 -1.26 -2.83 120.40 116.64 2klb s VAL 7 Ca 0.27 -1.59 0.31 0.00 0.00 0.00 0.00 61.98 60.97 2klb s VAL 7 Cb -0.06 -3.90 0.34 0.00 0.00 0.00 0.00 36.38 32.76 2klb s VAL 7 CO 0.14 -0.73 2.16 0.28 0.00 0.00 0.00 175.10 176.94 2klb h SER 8 N 8.57 0.00 1.77 3.32 0.02 -1.82 -2.47 113.55 122.93 2klb h SER 8 Ca -0.24 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 2klb h SER 8 Cb 1.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 2klb h SER 8 CO 0.89 0.06 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.50 2klb h GLU 9 N 0.00 0.00 -3.87 3.45 4.22 -1.58 -3.46 114.58 113.33 2klb h GLU 9 Ca -0.00 0.00 -0.34 0.00 0.08 0.00 0.00 59.36 59.10 2klb h GLU 9 Cb 0.21 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.14 2klb h GLU 9 CO 0.01 0.05 -0.75 -0.47 -2.18 0.00 0.00 179.01 175.67 2klb s TYR 10 N -3.27 0.36 0.00 0.92 5.04 -0.93 -5.11 117.35 114.36 2klb s TYR 10 Ca 0.06 -0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 2klb s TYR 10 Cb 0.06 -0.38 0.00 0.00 0.35 0.00 0.00 41.96 41.99 2klb s TYR 10 CO 0.66 -0.10 0.00 0.41 -1.34 0.00 0.00 175.55 175.18 2klb n GLY 11 N 3.80 0.28 0.05 8.97 0.00 -1.26 -3.64 105.19 113.39 2klb n GLY 11 Ca -0.23 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.59 0.03 -0.27 1.61 4.01 -1.26 -4.57 117.16 116.11 2klb n TYR 12 Ca 0.00 -0.02 0.09 0.00 -0.16 0.00 0.00 57.90 57.81 2klb n TYR 12 Cb 0.00 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.21 2klb n TYR 12 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2klb n SER 13 N -0.53 -0.16 0.02 7.72 7.64 -1.24 -0.07 113.62 127.00 2klb n SER 13 Ca 0.07 1.34 -0.10 0.00 1.01 0.00 0.00 58.87 61.18 2klb n SER 13 Cb 0.05 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 62.76 2klb n SER 13 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2klb h ASP 14 N 0.00 -0.53 1.27 6.43 3.32 -1.80 0.11 116.42 125.21 2klb h ASP 14 Ca 0.44 0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.48 2klb h ASP 14 Cb 0.82 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2klb h ASP 14 CO -0.76 -0.23 -0.46 0.03 -1.72 0.00 0.00 179.24 176.10 2klb h ARG 15 N -0.24 0.00 -0.11 3.56 2.47 -0.85 0.55 114.38 119.76 2klb h ARG 15 Ca 0.08 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.78 2klb h ARG 15 Cb 0.36 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2klb h ARG 15 CO -0.23 0.46 -0.00 -0.07 0.56 0.00 0.00 179.97 180.69 2klb h LEU 16 N 0.00 0.20 -0.44 3.04 3.38 -0.90 -2.75 115.31 117.83 2klb h LEU 16 Ca -0.00 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 2klb h LEU 16 Cb 1.22 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2klb h LEU 16 CO 0.06 0.47 0.10 0.00 0.09 0.00 0.00 178.44 179.15 2klb h ALA 17 N 0.74 0.59 -1.00 1.53 0.00 -0.88 -2.97 119.26 117.27 2klb h ALA 17 Ca 0.03 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 54.92 2klb h ALA 17 Cb 0.37 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 2klb h ALA 17 CO 0.01 0.28 0.60 0.37 0.00 0.00 0.00 179.25 180.51 2klb h GLN 18 N 0.59 0.73 -0.37 0.00 4.15 -0.89 0.15 115.11 119.47 2klb h GLN 18 Ca 0.14 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 2klb h GLN 18 Cb 0.34 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 2klb h GLN 18 CO 0.00 0.49 0.10 0.00 -1.93 0.00 0.00 178.83 177.49 2klb h ALA 19 N 1.64 0.49 0.22 3.38 0.00 -1.34 -2.19 119.26 121.46 2klb h ALA 19 Ca 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 2klb h ALA 19 Cb 0.88 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2klb h ALA 19 CO -0.38 0.15 -0.10 0.82 0.00 0.00 0.00 179.25 179.74 2klb h ILE 20 N 0.46 0.82 -0.28 0.00 2.04 -0.89 -2.79 117.51 116.87 2klb h ILE 20 Ca 0.12 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.84 2klb h ILE 20 Cb 0.29 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 2klb h ILE 20 CO -0.00 0.04 -0.03 0.40 0.00 0.00 0.00 178.15 178.57 2klb h ILE 21 N -0.39 0.76 -0.76 -0.67 2.04 -0.80 -1.51 117.51 116.19 2klb h ILE 21 Ca -0.03 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.90 2klb h ILE 21 Cb 0.30 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 2klb h ILE 21 CO 0.05 0.01 0.50 -1.13 0.00 0.00 0.00 178.15 177.58 2klb h ASN 22 N 0.05 0.66 -0.10 1.72 -1.24 -1.39 -0.89 115.58 114.38 2klb h ASN 22 Ca 0.14 0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.09 2klb h ASN 22 Cb 0.19 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.11 2klb h ASN 22 CO -0.25 0.41 -0.19 1.23 -1.29 0.00 0.00 177.43 177.33 2klb h GLY 23 N 0.74 0.35 0.94 1.57 0.00 -1.04 -2.24 103.07 103.37 2klb h GLY 23 Ca 0.34 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2klb h GLY 23 CO -0.12 0.36 0.03 -2.22 0.00 0.00 0.00 176.54 174.59 2klb h ILE 24 N -0.12 1.25 -0.66 2.60 2.04 -0.96 -2.20 117.51 119.45 2klb h ILE 24 Ca 0.01 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 2klb h ILE 24 Cb 0.77 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2klb h ILE 24 CO 0.04 0.32 0.21 0.71 0.00 0.00 0.00 178.15 179.43 2klb h THR 25 N 0.50 1.24 0.00 -0.27 1.35 -1.04 -1.40 112.91 113.29 2klb h THR 25 Ca 0.12 -0.82 -0.01 0.00 -0.55 0.00 0.00 66.41 65.15 2klb h THR 25 Cb 0.42 0.51 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 2klb h THR 25 CO 0.01 0.32 -0.03 0.50 -0.25 0.00 0.00 175.52 176.08 2klb h LYS 26 N 0.97 0.00 0.00 4.72 3.64 -1.20 -1.56 116.57 123.14 2klb h LYS 26 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2klb h LYS 26 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2klb h LYS 26 CO -0.01 0.03 -0.48 1.15 -2.27 0.00 0.00 179.45 177.86 2klb h THR 27 N 0.00 0.00 0.00 1.00 2.02 -0.64 -3.48 112.91 111.81 2klb h THR 27 Ca -0.00 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.40 2klb h THR 27 Cb 0.26 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 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 1.22 1.39 3.25 2.16 0.00 -0.58 -5.10 105.19 107.52 2klb n GLY 28 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 1.83 0.18 1.61 1.01 -0.91 -5.01 120.40 117.11 2klb s VAL 29 Ca 0.00 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.73 2klb s VAL 29 Cb 0.00 -1.53 -0.08 0.00 0.00 0.00 0.00 36.38 34.77 2klb s VAL 29 CO 0.00 0.52 0.85 -0.83 0.00 0.00 0.00 175.10 175.64 2klb s GLY 30 N -0.39 3.00 -0.07 4.51 0.00 -1.26 -2.92 107.32 110.19 2klb s GLY 30 Ca 0.05 0.48 -0.02 0.00 0.00 0.00 0.00 44.72 45.22 2klb s GLY 30 CO 0.00 1.06 0.03 0.14 0.00 0.00 0.00 173.10 174.33 2klb s VAL 31 N -1.00 4.51 -0.49 1.40 1.01 -1.25 -0.06 120.40 124.50 2klb s VAL 31 Ca 0.39 -0.25 -0.20 0.00 0.00 0.00 0.00 61.98 61.93 2klb s VAL 31 Cb -0.24 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.25 2klb s VAL 31 CO 0.29 0.55 0.64 -1.81 0.00 0.00 0.00 175.10 174.76 2klb s ASP 32 N -1.08 6.24 -0.47 3.32 1.01 -0.95 -4.76 116.67 119.97 2klb s ASP 32 Ca 0.15 -0.77 -0.24 0.00 0.71 0.00 0.00 52.55 52.41 2klb s ASP 32 Cb -0.12 -2.30 0.03 0.00 1.01 0.00 0.00 42.92 41.55 2klb s ASP 32 CO 0.05 -0.88 0.84 0.68 0.21 0.00 0.00 175.17 176.07 2klb s VAL 33 N 2.72 4.57 -0.25 -1.27 -7.23 -1.26 -0.66 120.40 117.02 2klb s VAL 33 Ca 0.17 0.43 0.01 0.00 -1.81 0.00 0.00 61.98 60.78 2klb s VAL 33 Cb -0.18 -4.39 0.05 0.00 0.56 0.00 0.00 36.38 32.42 2klb s VAL 33 CO 0.14 -0.82 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.31 2klb s VAL 34 N 3.48 2.38 -1.25 1.32 1.01 -0.92 -5.00 120.40 121.42 2klb s VAL 34 Ca 0.31 -1.39 -0.13 0.00 0.00 0.00 0.00 61.98 60.77 2klb s VAL 34 Cb -0.12 -2.30 0.16 0.00 0.00 0.00 0.00 36.38 34.12 2klb s VAL 34 CO 0.22 0.09 1.63 0.47 0.00 0.00 0.00 175.10 177.52 2klb n ASP 35 N 4.53 5.11 0.23 3.32 8.00 -1.26 -3.06 116.55 133.42 2klb n ASP 35 Ca -0.15 -3.01 0.11 0.00 0.71 0.00 0.00 54.79 52.44 2klb n ASP 35 Cb 0.44 -1.56 0.52 0.00 -0.02 0.00 0.00 41.12 40.50 2klb n ASP 35 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 2klb h LEU 36 N 9.35 0.00 -4.18 0.64 8.10 -1.82 -2.60 115.31 124.80 2klb h LEU 36 Ca 0.36 0.00 -0.39 0.00 0.11 0.00 0.00 57.88 57.97 2klb h LEU 36 Cb 0.78 0.00 -0.14 0.00 -0.44 0.00 0.00 40.66 40.86 2klb h LEU 36 CO 1.41 0.20 0.22 0.61 -4.11 0.00 0.00 178.44 176.77 2klb n GLY 37 N 0.01 3.97 1.16 0.17 0.00 -1.13 -4.30 105.19 105.06 2klb n GLY 37 Ca -0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 1.13 0.00 -3.65 4.61 0.00 -1.18 -1.39 120.51 120.03 2klb n ALA 38 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 2klb n ALA 38 Cb 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 2klb n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2klb s ALA 39 N -1.41 -2.31 0.10 0.00 0.00 -0.99 -5.07 121.76 112.09 2klb s ALA 39 Ca 0.00 2.18 0.04 0.00 0.00 0.00 0.00 51.96 54.19 2klb s ALA 39 Cb 0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 2klb s ALA 39 CO 0.00 -0.34 0.04 0.14 0.00 0.00 0.00 175.76 175.60 2klb s VAL 40 N 1.30 4.24 0.15 0.00 -7.23 -1.26 -4.67 120.40 112.94 2klb s VAL 40 Ca -0.09 -0.94 -0.06 0.00 -1.81 0.00 0.00 61.98 59.09 2klb s VAL 40 Cb -0.03 -3.05 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 2klb s VAL 40 CO -0.14 0.09 0.20 -0.62 -0.31 0.00 0.00 175.10 174.32 2klb s ASP 41 N -2.45 0.13 0.58 4.85 2.15 -1.26 -5.04 116.67 115.63 2klb s ASP 41 Ca 0.28 -1.00 0.27 0.00 0.43 0.00 0.00 52.55 52.52 2klb s ASP 41 Cb -0.12 0.39 1.70 0.00 -0.30 0.00 0.00 42.92 44.59 2klb s ASP 41 CO 0.20 -0.84 2.22 -0.07 -0.17 0.00 0.00 175.17 176.51 2klb h LEU 42 N 2.65 0.00 -0.14 -1.34 -0.00 -2.00 -0.88 115.31 113.60 2klb h LEU 42 Ca -0.33 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.58 2klb h LEU 42 Cb 1.22 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.85 2klb h LEU 42 CO 0.52 0.00 -0.07 1.56 -0.00 0.00 0.00 178.44 180.45 2klb h GLN 43 N 0.00 -0.06 0.09 1.13 1.08 -2.00 -0.47 115.11 114.87 2klb h GLN 43 Ca 0.01 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.94 2klb h GLN 43 Cb 0.07 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2klb h GLN 43 CO -0.00 -0.04 -1.40 1.05 -0.95 0.00 0.00 178.83 177.50 2klb h GLU 44 N -0.06 0.18 0.00 1.46 9.09 -1.88 -3.31 114.58 120.07 2klb h GLU 44 Ca 0.08 -0.31 -0.00 0.00 0.05 0.00 0.00 59.36 59.18 2klb h GLU 44 Cb 0.17 0.11 -0.00 0.00 -1.65 0.00 0.00 28.75 27.39 2klb h GLU 44 CO -0.17 1.05 -0.02 -0.07 0.05 0.00 0.00 179.01 179.85 2klb h LEU 45 N 0.05 0.00 -0.70 3.06 3.38 -1.09 -0.66 115.31 119.35 2klb h LEU 45 Ca -0.18 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 2klb h LEU 45 Cb 1.96 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.69 2klb h LEU 45 CO 0.15 0.02 -0.02 -0.09 0.09 0.00 0.00 178.44 178.59 2klb h ARG 46 N 0.00 0.98 0.00 1.13 2.43 -1.16 -2.97 114.38 114.79 2klb h ARG 46 Ca -0.00 -0.31 -0.07 0.00 -0.81 0.00 0.00 59.98 58.79 2klb h ARG 46 Cb 0.03 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2klb h ARG 46 CO 0.00 0.98 -0.31 0.93 -1.51 0.00 0.00 179.97 180.06 2klb h GLU 47 N 0.90 0.00 -0.60 0.20 4.39 -1.25 -2.92 114.58 115.29 2klb h GLU 47 Ca 0.16 0.00 0.18 0.00 0.34 0.00 0.00 59.36 60.03 2klb h GLU 47 Cb 0.56 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2klb h GLU 47 CO 0.03 0.31 0.47 1.25 -1.16 0.00 0.00 179.01 179.92 2klb h LEU 48 N 0.00 0.00 0.00 1.33 5.85 -1.20 0.31 115.31 121.60 2klb h LEU 48 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2klb h LEU 48 Cb 0.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2klb h LEU 48 CO 0.04 0.00 -0.04 0.58 -0.34 0.00 0.00 178.44 178.68 2klb h VAL 49 N 0.00 1.68 0.00 1.05 2.07 -1.64 -3.13 116.25 116.27 2klb h VAL 49 Ca 0.29 -2.05 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 2klb h VAL 49 Cb 1.23 3.07 -0.00 0.00 -1.52 0.00 0.00 31.29 34.07 2klb h VAL 49 CO -0.00 0.54 -0.21 1.23 0.02 0.00 0.00 177.57 179.15 2klb h GLY 50 N -0.83 0.00 -2.31 2.17 0.00 -1.48 -3.24 103.07 97.38 2klb h GLY 50 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2klb h GLY 50 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.09 2klb n ARG 51 N -3.04 2.51 0.00 4.80 5.12 0.10 -4.60 116.66 121.56 2klb n ARG 51 Ca 0.03 -2.32 0.03 0.00 -1.93 0.00 0.00 57.85 53.67 2klb n ARG 51 Cb 0.55 -1.51 0.17 0.00 -1.16 0.00 0.00 32.46 30.51 2klb n ARG 51 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2klb h THR 53 N 0.00 1.19 -3.45 0.00 1.35 -1.87 -3.41 112.91 106.73 2klb h THR 53 Ca 0.00 -0.40 -0.23 0.00 -0.55 0.00 0.00 66.41 65.23 2klb h THR 53 Cb 0.09 0.22 -0.30 0.00 -1.73 0.00 0.00 68.15 66.43 2klb h THR 53 CO 0.00 0.19 -0.63 -0.83 -0.25 0.00 0.00 175.52 174.00 2klb s GLY 54 N -2.89 -0.02 0.07 5.82 0.00 -1.17 -1.60 107.32 107.52 2klb s GLY 54 Ca -0.13 0.38 0.04 0.00 0.00 0.00 0.00 44.72 45.00 2klb s GLY 54 CO 0.78 0.52 -0.10 1.08 0.00 0.00 0.00 173.10 175.37 2klb s LEU 55 N 0.55 2.33 -0.40 0.66 1.02 -0.52 -2.13 118.68 120.19 2klb s LEU 55 Ca -0.04 -0.69 0.01 0.00 0.02 0.00 0.00 54.13 53.44 2klb s LEU 55 Cb -0.06 -0.32 0.13 0.00 0.02 0.00 0.00 46.19 45.96 2klb s LEU 55 CO -0.02 -0.20 0.20 -0.69 0.02 0.00 0.00 176.35 175.66 2klb s VAL 56 N -1.83 1.25 -0.05 -1.59 1.01 0.29 -0.26 120.40 119.23 2klb s VAL 56 Ca -0.01 -2.25 -0.04 0.00 0.00 0.00 0.00 61.98 59.68 2klb s VAL 56 Cb -0.07 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2klb s VAL 56 CO 0.01 -0.84 0.17 -0.63 0.00 0.00 0.00 175.10 173.81 2klb s ILE 57 N 0.69 5.46 0.13 2.22 1.09 0.71 -0.02 121.20 131.47 2klb s ILE 57 Ca 0.16 -0.02 0.07 0.00 -1.10 0.00 0.00 60.65 59.76 2klb s ILE 57 Cb -0.23 -3.49 -0.04 0.00 -1.06 0.00 0.00 42.46 37.64 2klb s ILE 57 CO -0.05 0.43 -0.06 -0.83 -0.10 0.00 0.00 174.94 174.33 2klb s GLY 58 N -1.62 1.79 0.37 6.18 0.00 -0.14 -1.13 107.32 112.78 2klb s GLY 58 Ca 0.23 -1.28 -0.26 0.00 0.00 0.00 0.00 44.72 43.41 2klb s GLY 58 CO 0.14 -1.28 1.09 1.15 0.00 0.00 0.00 173.10 174.20 2klb n MET 59 N 0.38 1.56 -4.02 2.90 0.00 -1.14 -4.84 117.12 111.96 2klb n MET 59 Ca -0.12 0.55 -0.23 0.00 0.00 0.00 0.00 57.70 57.91 2klb n MET 59 Cb 0.53 -2.09 -0.17 0.00 0.00 0.00 0.00 33.22 31.50 2klb n MET 59 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2klb s SER 60 N -0.59 1.56 0.81 3.17 1.04 -1.26 -4.79 113.70 113.64 2klb s SER 60 Ca 0.60 -0.18 -0.12 0.00 0.48 0.00 0.00 55.95 56.74 2klb s SER 60 Cb -0.59 -0.59 0.07 0.00 0.10 0.00 0.00 66.02 65.01 2klb s SER 60 CO 0.59 -0.10 1.11 -2.16 0.98 0.00 0.00 173.24 173.65 2klb s PRO 61 N 1.42 2.02 0.05 4.02 0.04 -1.26 -3.71 135.00 137.59 2klb s PRO 61 Ca -0.02 0.50 -0.10 0.00 0.04 0.00 0.00 61.00 61.41 2klb s PRO 61 Cb -0.13 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2klb s PRO 61 CO -0.03 -1.63 0.65 0.00 0.04 0.00 0.00 177.00 176.02 2klb n ALA 62 N -3.42 -0.22 -0.29 8.56 0.00 -1.26 0.07 120.51 123.96 2klb n ALA 62 Ca 0.07 0.29 0.06 0.00 0.00 0.00 0.00 53.44 53.86 2klb n ALA 62 Cb 0.57 0.02 0.29 0.00 0.00 0.00 0.00 19.45 20.33 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 0.04 1.61 0.20 0.00 0.00 -2.01 0.59 119.26 119.69 2klb h ALA 63 Ca 0.05 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.61 2klb h ALA 63 Cb 0.14 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.72 2klb h ALA 63 CO -0.32 0.22 -1.68 0.77 0.00 0.00 0.00 179.25 178.24 2klb h SER 64 N 0.91 0.66 0.07 0.00 0.02 -0.66 -3.32 113.55 111.23 2klb h SER 64 Ca 0.40 -0.91 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 2klb h SER 64 Cb 0.36 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2klb h SER 64 CO -0.17 1.75 -0.04 0.00 -1.14 0.00 0.00 176.83 177.23 2klb h ALA 65 N 0.15 1.70 -0.77 3.77 0.00 0.02 -1.07 119.26 123.06 2klb h ALA 65 Ca -0.32 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.62 2klb h ALA 65 Cb 2.11 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.85 2klb h ALA 65 CO 0.20 0.06 0.50 0.00 0.00 0.00 0.00 179.25 180.01 2klb h ALA 66 N 1.96 1.70 -0.13 0.00 0.00 -0.99 0.10 119.26 121.89 2klb h ALA 66 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2klb h ALA 66 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2klb h ALA 66 CO 0.01 0.17 0.05 0.77 0.00 0.00 0.00 179.25 180.25 2klb h SER 67 N 0.78 0.18 0.20 0.00 0.02 -1.36 0.12 113.55 113.50 2klb h SER 67 Ca 0.34 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2klb h SER 67 Cb 0.31 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2klb h SER 67 CO -0.12 0.31 -0.10 0.40 -1.14 0.00 0.00 176.83 176.18 2klb h ILE 68 N 0.05 0.87 0.00 3.27 2.04 -1.42 0.04 117.51 122.36 2klb h ILE 68 Ca 0.04 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 2klb h ILE 68 Cb 0.19 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2klb h ILE 68 CO -0.00 0.09 -0.20 1.56 0.00 0.00 0.00 178.15 179.60 2klb h GLN 69 N -0.46 0.00 -0.10 2.37 4.20 -0.85 -0.23 115.11 120.04 2klb h GLN 69 Ca -0.03 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.50 2klb h GLN 69 Cb 0.35 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.14 2klb h GLN 69 CO 0.05 0.20 -0.65 0.78 -0.67 0.00 0.00 178.83 178.54 2klb h GLY 70 N 0.97 0.67 0.11 3.46 0.00 -0.61 -3.19 103.07 104.49 2klb h GLY 70 Ca -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 47.33 46.33 2klb h GLY 70 CO 0.03 0.88 0.00 0.00 0.00 0.00 0.00 176.54 177.45 2klb n ALA 71 N -2.58 2.56 -0.26 3.60 0.00 -0.01 -4.28 120.51 119.55 2klb n ALA 71 Ca -0.08 -0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.21 2klb n ALA 71 Cb 0.68 -1.18 0.14 0.00 0.00 0.00 0.00 19.45 19.08 2klb n ALA 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2klb h LEU 72 N 0.49 -0.46 -1.26 0.00 7.12 -1.04 0.27 115.31 120.44 2klb h LEU 72 Ca 0.00 0.20 0.15 0.00 0.13 0.00 0.00 57.88 58.36 2klb h LEU 72 Cb 0.11 0.38 -0.07 0.00 -0.53 0.00 0.00 40.66 40.55 2klb h LEU 72 CO 0.00 -0.20 0.58 0.28 -0.13 0.00 0.00 178.44 178.97 2klb h SER 73 N 0.07 0.67 0.06 1.25 0.02 -1.85 -2.06 113.55 111.72 2klb h SER 73 Ca 0.40 0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 61.23 2klb h SER 73 Cb 0.67 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 63.14 2klb h SER 73 CO -0.70 0.33 -0.68 0.74 -1.14 0.00 0.00 176.83 175.38 2klb h THR 74 N 0.70 1.47 0.44 -2.27 2.02 -0.88 -3.21 112.91 111.19 2klb h THR 74 Ca 0.46 -2.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.35 2klb h THR 74 Cb 0.75 2.88 -0.02 0.00 -1.74 0.00 0.00 68.15 70.01 2klb h THR 74 CO -0.22 0.65 -0.46 0.40 0.37 0.00 0.00 175.52 176.26 2klb h ILE 75 N -0.24 0.09 0.00 3.11 2.04 -0.40 0.93 117.51 123.03 2klb h ILE 75 Ca -0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2klb h ILE 75 Cb 1.45 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2klb h ILE 75 CO 0.13 0.00 -0.06 -0.07 0.00 0.00 0.00 178.15 178.15 2klb h LEU 76 N -0.92 0.00 0.00 1.44 -0.00 -1.57 -1.26 115.31 113.00 2klb h LEU 76 Ca -0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.72 2klb h LEU 76 Cb 0.81 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 2klb h LEU 76 CO -0.08 0.06 -0.70 1.23 -0.00 0.00 0.00 178.44 178.95 2klb h GLY 77 N 0.57 0.00 1.02 0.83 0.00 -1.40 -3.36 103.07 100.73 2klb h GLY 77 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 2klb h GLY 77 CO 0.01 0.00 -1.69 1.76 0.00 0.00 0.00 176.54 176.62 2klb h SER 78 N 0.00 0.50 -2.89 0.19 0.02 0.28 -3.46 113.55 108.19 2klb h SER 78 Ca -0.04 -0.75 -0.54 0.00 -0.84 0.00 0.00 61.79 59.62 2klb h SER 78 Cb 1.42 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 2klb h SER 78 CO 0.06 1.64 0.85 0.68 -1.14 0.00 0.00 176.83 178.92 2klb s VAL 79 N -2.59 3.67 0.16 2.27 -7.23 -0.70 -4.85 120.40 111.13 2klb s VAL 79 Ca -0.13 1.05 0.06 0.00 -1.81 0.00 0.00 61.98 61.15 2klb s VAL 79 Cb 0.06 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 2klb s VAL 79 CO 0.85 -0.00 -0.13 0.20 -0.31 0.00 0.00 175.10 175.70 2klb s ASN 80 N 1.93 2.21 0.00 4.85 0.02 -1.26 -4.96 114.94 117.73 2klb s ASN 80 Ca 0.65 -0.95 0.00 0.00 -1.02 0.00 0.00 52.86 51.53 2klb s ASN 80 Cb -0.32 -0.08 0.00 0.00 0.02 0.00 0.00 41.25 40.87 2klb s ASN 80 CO 0.27 -0.20 0.00 1.21 0.02 0.00 0.00 177.10 178.40 2klb n GLU 81 N -0.05 0.00 -0.55 -0.60 2.13 -1.26 -2.58 120.64 117.73 2klb n GLU 81 Ca -0.11 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.69 2klb n GLU 81 Cb 0.59 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.28 2klb n GLU 81 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2klb n LYS 82 N 0.00 0.00 -0.94 5.31 2.85 -1.26 -4.76 118.16 119.36 2klb n LYS 82 Ca 0.00 -0.26 -0.34 0.00 -1.05 0.00 0.00 58.31 56.66 2klb n LYS 82 Cb 0.00 0.18 0.10 0.00 -0.65 0.00 0.00 35.03 34.65 2klb n LYS 82 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2klb n GLN 83 N 0.00 -0.11 -3.06 -1.58 1.13 -1.07 -1.44 117.38 111.25 2klb n GLN 83 Ca -0.07 0.01 -0.41 0.00 -1.94 0.00 0.00 57.00 54.58 2klb n GLN 83 Cb 0.45 -1.76 -0.06 0.00 0.11 0.00 0.00 30.24 28.98 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 -2.23 3.54 -0.32 -1.58 0.00 -0.63 -1.86 121.76 118.68 2klb s ALA 84 Ca 0.57 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.91 2klb s ALA 84 Cb -0.25 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.75 2klb s ALA 84 CO 0.67 -1.08 0.11 0.14 0.00 0.00 0.00 175.76 175.60 2klb s VAL 85 N 2.70 4.00 -0.03 0.00 -7.23 -0.18 -1.44 120.40 118.22 2klb s VAL 85 Ca 0.27 -0.88 -0.03 0.00 -1.81 0.00 0.00 61.98 59.53 2klb s VAL 85 Cb -0.15 -3.16 -0.04 0.00 0.56 0.00 0.00 36.38 33.59 2klb s VAL 85 CO 0.12 -0.07 0.17 -0.83 -0.31 0.00 0.00 175.10 174.18 2klb s GLY 86 N 1.47 2.17 -0.01 2.32 0.00 0.64 -2.65 107.32 111.26 2klb s GLY 86 Ca 0.01 -0.74 0.04 0.00 0.00 0.00 0.00 44.72 44.03 2klb s GLY 86 CO 0.03 -0.61 -0.14 -0.42 0.00 0.00 0.00 173.10 171.97 2klb s ILE 87 N -1.27 1.11 0.09 0.90 -1.09 -1.26 -0.21 121.20 119.48 2klb s ILE 87 Ca 0.25 -0.59 0.06 0.00 -2.23 0.00 0.00 60.65 58.14 2klb s ILE 87 Cb -0.12 -0.93 -0.03 0.00 -1.58 0.00 0.00 42.46 39.79 2klb s ILE 87 CO 0.16 0.32 -0.17 0.72 -1.23 0.00 0.00 174.94 174.74 2klb s PHE 88 N -0.26 1.45 0.10 3.97 -0.71 -0.29 -4.83 117.98 117.41 2klb s PHE 88 Ca 0.04 -0.46 0.07 0.00 -1.04 0.00 0.00 56.93 55.54 2klb s PHE 88 Cb -0.06 -0.80 -0.03 0.00 -1.21 0.00 0.00 43.02 40.92 2klb s PHE 88 CO -0.00 0.13 -0.17 -2.00 -1.34 0.00 0.00 175.22 171.83 2klb s GLU 89 N -1.95 1.00 -0.00 1.99 2.12 -1.26 -2.88 118.70 117.71 2klb s GLU 89 Ca 0.03 -1.10 0.00 0.00 0.36 0.00 0.00 54.97 54.26 2klb s GLU 89 Cb -0.09 -1.09 0.00 0.00 0.26 0.00 0.00 34.13 33.21 2klb s GLU 89 CO 0.03 0.24 0.63 -2.37 -0.54 0.00 0.00 175.26 173.26 2klb n THR 90 N 1.05 0.21 0.00 -1.70 5.66 -1.26 -4.95 114.28 113.28 2klb n THR 90 Ca -0.19 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 2klb n THR 90 Cb 0.54 0.86 0.00 0.00 -1.55 0.00 0.00 70.33 70.18 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 -0.11 0.33 0.00 1.09 0.00 -1.26 -4.71 105.19 100.52 2klb n GLY 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2klb n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2klb n GLY 92 N 2.45 1.09 2.73 -0.02 0.00 -1.26 -3.90 105.19 106.27 2klb n GLY 92 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 1.69 1.09 -0.02 0.00 -1.26 -4.88 105.19 101.82 2klb n GLY 93 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 2klb n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2klb n ASP 94 N -0.69 0.10 -1.11 1.61 5.75 -1.26 -5.10 116.55 115.85 2klb n ASP 94 Ca -0.00 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 2klb n ASP 94 Cb 0.83 0.51 0.00 0.00 -1.03 0.00 0.00 41.12 41.43 2klb n ASP 94 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2klb n ASP 95 N -2.38 -4.19 -0.02 -1.12 2.03 -1.24 -4.91 116.55 104.72 2klb n ASP 95 Ca 0.01 0.47 -0.16 0.00 0.52 0.00 0.00 54.79 55.63 2klb n ASP 95 Cb 0.20 -2.26 -0.13 0.00 -0.72 0.00 0.00 41.12 38.21 2klb n ASP 95 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2klb h GLU 96 N 1.32 0.15 0.00 -0.67 3.07 -1.94 -3.36 114.58 113.15 2klb h GLU 96 Ca 0.00 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 2klb h GLU 96 Cb 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2klb h GLU 96 CO 0.00 1.08 0.00 -0.35 -1.40 0.00 0.00 179.01 178.34 2klb n PRO 97 N -4.41 0.80 -0.05 2.33 -0.04 -1.26 -4.40 135.00 127.97 2klb n PRO 97 Ca -0.11 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.26 2klb n PRO 97 Cb 0.62 -1.02 -0.06 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 0.00 -0.03 0.52 2.10 -1.93 -1.27 117.51 116.90 2klb h ILE 98 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 2klb h ILE 98 Cb 0.00 0.00 -0.00 0.00 -1.09 0.00 0.00 36.82 35.73 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 -0.27 0.06 -1.03 2.19 3.32 -1.92 -2.26 116.42 116.52 2klb h ASP 99 Ca 0.03 -0.40 0.33 0.00 0.02 0.00 0.00 57.03 57.02 2klb h ASP 99 Cb 0.36 -0.02 -0.14 0.00 0.22 0.00 0.00 39.33 39.75 2klb h ASP 99 CO -0.31 0.44 0.60 -0.65 -1.72 0.00 0.00 179.24 177.60 2klb h PRO 100 N -0.32 0.30 0.11 3.56 0.11 -1.82 0.15 132.00 134.08 2klb h PRO 100 Ca 0.01 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 2klb h PRO 100 Cb 0.42 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2klb h PRO 100 CO 0.00 0.20 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.87 2klb h LEU 101 N 0.31 -0.12 -0.34 2.35 3.38 -1.21 -3.25 115.31 116.43 2klb h LEU 101 Ca 0.74 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.75 2klb h LEU 101 Cb 1.73 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 2klb h LEU 101 CO -0.58 0.24 0.11 -0.07 0.09 0.00 0.00 178.44 178.23 2klb h LEU 102 N -0.80 0.11 -1.77 1.67 3.38 -1.11 0.28 115.31 117.06 2klb h LEU 102 Ca -0.02 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2klb h LEU 102 Cb 0.11 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2klb h LEU 102 CO 0.02 0.10 0.19 -1.28 0.09 0.00 0.00 178.44 177.56 2klb h SER 103 N 0.25 0.26 0.14 -0.43 0.87 -0.91 -2.09 113.55 111.64 2klb h SER 103 Ca 0.15 -0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.47 2klb h SER 103 Cb 0.13 -0.06 0.03 0.00 -0.44 0.00 0.00 62.40 62.05 2klb h SER 103 CO -0.16 0.19 -1.02 0.50 -0.53 0.00 0.00 176.83 175.81 2klb h LYS 104 N 0.31 0.44 0.00 2.24 3.64 -1.34 -3.29 116.57 118.57 2klb h LYS 104 Ca 0.11 -0.66 -0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2klb h LYS 104 Cb 0.07 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2klb h LYS 104 CO -0.02 1.30 -0.00 0.74 -2.27 0.00 0.00 179.45 179.19 2klb h PHE 105 N -0.08 0.00 -0.79 1.91 0.04 -0.57 -1.95 116.94 115.51 2klb h PHE 105 Ca -0.17 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.71 2klb h PHE 105 Cb 1.77 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.86 2klb h PHE 105 CO 0.16 0.00 0.51 0.00 -0.60 0.00 0.00 178.31 178.38 2klb h ARG 106 N 0.00 0.66 0.00 1.51 2.47 -1.46 0.20 114.38 117.76 2klb h ARG 106 Ca -0.00 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 2klb h ARG 106 Cb 0.00 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.17 2klb h ARG 106 CO 0.00 0.44 -0.10 -0.91 0.56 0.00 0.00 179.97 179.96 2klb h ASN 107 N 0.68 0.00 0.00 7.04 4.21 -1.51 -3.35 115.58 122.65 2klb h ASN 107 Ca 0.37 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.88 2klb h ASN 107 Cb 0.51 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 2klb h ASN 107 CO -0.14 0.10 -0.08 0.18 -1.29 0.00 0.00 177.43 176.20 2klb n LEU 108 N -3.21 0.23 0.00 1.61 4.32 -0.26 -5.10 117.00 114.59 2klb n LEU 108 Ca 0.01 0.22 0.00 0.00 -0.02 0.00 0.00 56.01 56.22 2klb n LEU 108 Cb 0.40 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 2klb n LEU 108 CO 0.31 -0.49 0.00 0.61 -1.22 0.00 0.00 177.39 176.60 2klb n GLY 109 N 1.66 0.59 3.87 -0.72 0.00 0.54 -5.04 105.19 106.09 2klb n GLY 109 Ca -0.01 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 4.36 -0.30 0.99 1.02 -1.26 -4.34 118.68 119.15 2klb s LEU 110 Ca 0.00 0.70 -0.28 0.00 0.02 0.00 0.00 54.13 54.57 2klb s LEU 110 Cb 0.00 -2.82 -0.03 0.00 0.02 0.00 0.00 46.19 43.36 2klb s LEU 110 CO 0.00 0.22 1.93 -0.89 0.02 0.00 0.00 176.35 177.63 2klb s THR 111 N -1.34 3.33 0.03 5.49 2.01 -0.52 -4.90 115.64 119.74 2klb s THR 111 Ca 0.30 0.33 -0.23 0.00 0.31 0.00 0.00 61.69 62.40 2klb s THR 111 Cb -0.14 -3.45 -0.06 0.00 0.01 0.00 0.00 72.50 68.86 2klb s THR 111 CO 0.17 -0.30 0.69 -0.89 -0.69 0.00 0.00 174.62 173.61 2klb s THR 112 N 7.44 4.79 0.00 -0.82 2.01 -1.26 -1.01 115.64 126.78 2klb s THR 112 Ca 0.86 1.47 0.00 0.00 0.31 0.00 0.00 61.69 64.33 2klb s THR 112 Cb -0.25 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.22 2klb s THR 112 CO 0.34 0.39 0.00 0.00 -0.69 0.00 0.00 174.62 174.66 2klb n ALA 113 N 2.71 0.00 -3.41 7.40 0.00 -1.08 -4.96 120.51 121.16 2klb n ALA 113 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 2klb n ALA 113 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 2klb n ALA 113 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2klb s PHE 114 N 0.01 0.07 -2.06 0.00 0.08 -1.26 -4.99 117.98 109.83 2klb s PHE 114 Ca 0.00 -1.04 0.19 0.00 0.12 0.00 0.00 56.93 56.21 2klb s PHE 114 Cb 0.00 -0.61 0.53 0.00 -0.57 0.00 0.00 43.02 42.37 2klb s PHE 114 CO 0.00 -0.91 1.45 -0.35 -0.10 0.00 0.00 175.22 175.31 2klb n PRO 115 N 4.34 2.38 -0.74 0.24 -0.04 -1.26 -4.63 135.00 135.30 2klb n PRO 115 Ca 0.09 -2.14 -0.14 0.00 -0.04 0.00 0.00 63.50 61.27 2klb n PRO 115 Cb 0.42 -1.47 0.08 0.00 -0.04 0.00 0.00 33.50 32.49 2klb n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2klb n ALA 116 N 1.25 4.46 -3.45 0.55 0.00 -1.26 -4.84 120.51 117.21 2klb n ALA 116 Ca 0.20 -1.64 -0.13 0.00 0.00 0.00 0.00 53.44 51.88 2klb n ALA 116 Cb 0.51 -1.29 -0.13 0.00 0.00 0.00 0.00 19.45 18.55 2klb n ALA 116 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2klb s ILE 117 N -1.99 -0.02 0.12 0.00 2.07 -1.26 -5.17 121.20 114.96 2klb s ILE 117 Ca 0.32 0.08 0.06 0.00 -1.41 0.00 0.00 60.65 59.69 2klb s ILE 117 Cb 0.26 -0.35 -0.04 0.00 0.13 0.00 0.00 42.46 42.46 2klb s ILE 117 CO 0.04 0.03 -0.13 -0.13 -1.91 0.00 0.00 174.94 172.84 2klb s ARG 118 N 0.75 1.01 0.14 3.50 3.00 -1.26 -4.96 118.95 121.13 2klb s ARG 118 Ca -0.05 -1.25 -0.05 0.00 0.00 0.00 0.00 55.73 54.39 2klb s ARG 118 Cb -0.06 -0.84 -0.06 0.00 0.00 0.00 0.00 34.95 33.99 2klb s ARG 118 CO -0.05 0.15 0.38 0.42 0.00 0.00 0.00 175.30 176.21 2klb s ILE 119 N -2.27 5.17 0.14 1.52 1.09 -1.26 -5.03 121.20 120.56 2klb s ILE 119 Ca 0.09 0.02 -0.16 0.00 -1.10 0.00 0.00 60.65 59.50 2klb s ILE 119 Cb -0.04 -3.63 0.01 0.00 -1.06 0.00 0.00 42.46 37.74 2klb s ILE 119 CO 0.03 0.03 1.70 0.07 -0.10 0.00 0.00 174.94 176.67 2klb h LYS 120 N 2.79 0.62 0.00 2.79 2.10 -1.99 -3.39 116.57 119.49 2klb h LYS 120 Ca -0.46 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.09 2klb h LYS 120 Cb 1.17 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 2klb h LYS 120 CO 0.73 0.56 0.00 0.94 -2.00 0.00 0.00 179.45 179.68 2klb n GLN 121 N -4.65 0.00 -4.08 0.07 7.27 -1.25 -4.96 117.38 109.78 2klb n GLN 121 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.75 2klb n GLN 121 Cb 0.13 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.63 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 -1.62 2.19 0.08 1.69 -4.23 -1.26 -4.55 115.64 107.95 2klb s THR 122 Ca 0.00 -1.26 -0.01 0.00 -1.18 0.00 0.00 61.69 59.23 2klb s THR 122 Cb 0.00 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.75 2klb s THR 122 CO 0.00 0.25 0.10 -0.81 -0.54 0.00 0.00 174.62 173.62 2klb n PRO 123 N 4.54 -0.38 -1.82 3.99 -0.04 -1.26 -5.12 135.00 134.91 2klb n PRO 123 Ca -0.17 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.13 2klb n PRO 123 Cb 0.46 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 2klb n PRO 123 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2klb n THR 124 N -2.28 0.00 0.26 0.52 -2.24 -1.26 -5.03 114.28 104.24 2klb n THR 124 Ca 0.01 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 2klb n THR 124 Cb 0.05 0.00 0.84 0.00 -2.10 0.00 0.00 70.33 69.11 2klb n THR 124 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2klb h GLU 125 N 0.00 0.00 -0.65 -0.78 3.07 -2.02 -2.01 114.58 112.18 2klb h GLU 125 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 2klb h GLU 125 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 2klb h GLU 125 CO 0.00 0.00 0.43 -0.91 -1.40 0.00 0.00 179.01 177.13 2klb h ASN 126 N 0.00 0.64 -0.96 1.42 4.21 -2.00 -2.33 115.58 116.56 2klb h ASN 126 Ca 0.03 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.54 2klb h ASN 126 Cb 0.15 -0.15 -0.05 0.00 -1.12 0.00 0.00 38.32 37.16 2klb h ASN 126 CO -0.00 0.44 0.62 0.74 -1.29 0.00 0.00 177.43 177.94 2klb h THR 127 N 0.74 1.25 0.08 2.81 2.02 -1.77 -0.26 112.91 117.79 2klb h THR 127 Ca 0.27 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 2klb h THR 127 Cb 0.13 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.39 2klb h THR 127 CO -0.08 0.25 -0.04 1.88 0.37 0.00 0.00 175.52 177.90 2klb h TYR 128 N 1.31 -0.10 -0.53 3.16 -1.99 -1.57 -0.95 116.97 116.31 2klb h TYR 128 Ca 0.35 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.05 2klb h TYR 128 Cb -0.12 0.03 -0.03 0.00 2.00 0.00 0.00 36.73 38.62 2klb h TYR 128 CO 0.00 -0.06 0.19 0.87 -0.00 0.00 0.00 178.16 179.16 2klb h LYS 129 N -0.11 0.76 -0.46 4.88 1.57 -1.37 -1.47 116.57 120.37 2klb h LYS 129 Ca -0.01 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2klb h LYS 129 Cb 0.09 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2klb h LYS 129 CO 0.02 0.64 0.26 1.25 -0.57 0.00 0.00 179.45 181.05 2klb h LEU 130 N 0.75 0.58 -0.76 2.94 6.46 -0.84 -2.26 115.31 122.18 2klb h LEU 130 Ca 0.18 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.88 2klb h LEU 130 Cb 0.18 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 39.92 2klb h LEU 130 CO -0.01 0.50 0.49 0.00 -0.62 0.00 0.00 178.44 178.79 2klb h GLU 132 N 0.98 0.08 -0.12 0.00 5.08 -1.10 -0.48 114.58 119.02 2klb h GLU 132 Ca 0.29 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2klb h GLU 132 Cb -0.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2klb h GLU 132 CO -0.09 0.05 0.02 1.49 -1.00 0.00 0.00 179.01 179.49 2klb h GLU 133 N 0.09 0.07 0.19 2.33 4.57 -1.09 -1.09 114.58 119.65 2klb h GLU 133 Ca 0.06 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2klb h GLU 133 Cb 0.05 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2klb h GLU 133 CO -0.07 0.05 -0.09 0.00 -1.18 0.00 0.00 179.01 177.72 2klb h ALA 134 N 1.08 -0.25 -0.70 2.92 0.00 -1.10 -2.02 119.26 119.19 2klb h ALA 134 Ca 0.05 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2klb h ALA 134 Cb 0.04 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2klb h ALA 134 CO -0.07 -0.62 0.46 0.78 0.00 0.00 0.00 179.25 179.81 2klb h GLY 135 N -0.30 0.99 1.00 0.00 0.00 -1.04 -2.53 103.07 101.19 2klb h GLY 135 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2klb h GLY 135 CO 0.04 0.36 0.32 -0.84 0.00 0.00 0.00 176.54 176.42 2klb h THR 136 N 0.95 1.14 -0.15 4.70 2.02 -1.12 -1.22 112.91 119.22 2klb h THR 136 Ca 0.26 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2klb h THR 136 Cb -0.10 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 2klb h THR 136 CO -0.06 0.14 0.09 -0.78 0.37 0.00 0.00 175.52 175.28 2klb h ASP 137 N 0.68 0.15 -0.70 4.18 1.82 -1.11 0.40 116.42 121.84 2klb h ASP 137 Ca 0.18 -0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.84 2klb h ASP 137 Cb -0.06 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 39.88 2klb h ASP 137 CO -0.04 0.11 0.45 -0.07 -1.61 0.00 0.00 179.24 178.09 2klb h LEU 138 N 0.19 0.76 -0.78 2.28 3.38 -1.36 -1.84 115.31 117.94 2klb h LEU 138 Ca 0.06 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2klb h LEU 138 Cb -0.01 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2klb h LEU 138 CO -0.02 0.54 0.50 1.23 0.09 0.00 0.00 178.44 180.78 2klb h GLY 139 N 0.91 1.13 1.51 0.83 0.00 -0.70 -2.08 103.07 104.66 2klb h GLY 139 Ca 0.27 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 2klb h GLY 139 CO -0.08 0.32 0.16 1.46 0.00 0.00 0.00 176.54 178.40 2klb h GLN 140 N 0.97 0.64 -0.16 4.80 1.08 -0.45 -2.66 115.11 119.33 2klb h GLN 140 Ca 0.31 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.40 2klb h GLN 140 Cb 0.01 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 2klb h GLN 140 CO -0.11 0.54 0.01 2.35 -0.95 0.00 0.00 178.83 180.67 2klb h TRP 141 N 0.63 0.30 0.24 2.96 7.01 -0.70 -1.20 115.95 125.19 2klb h TRP 141 Ca 0.15 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 2klb h TRP 141 Cb 0.15 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.13 2klb h TRP 141 CO 0.01 0.48 -0.16 0.28 -2.79 0.00 0.00 178.44 176.25 2klb h VAL 142 N 0.03 0.65 -0.42 2.65 2.07 -1.22 -0.03 116.25 119.97 2klb h VAL 142 Ca 0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2klb h VAL 142 Cb 0.36 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2klb h VAL 142 CO 0.01 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.76 2klb h THR 143 N -0.40 1.16 -0.58 2.57 1.03 -1.54 0.51 112.91 115.66 2klb h THR 143 Ca -0.02 -0.52 -0.06 0.00 -0.01 0.00 0.00 66.41 65.81 2klb h THR 143 Cb 0.34 0.67 -0.03 0.00 -1.07 0.00 0.00 68.15 68.06 2klb h THR 143 CO 0.01 0.20 0.14 -0.09 -0.01 0.00 0.00 175.52 175.77 2klb h ARG 144 N 0.60 0.90 0.13 0.00 2.43 -0.70 -2.02 114.38 115.73 2klb h ARG 144 Ca 0.15 -0.19 -0.17 0.00 -0.81 0.00 0.00 59.98 58.95 2klb h ARG 144 Cb 0.13 -0.13 0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2klb h ARG 144 CO -0.01 0.81 -0.76 0.22 -1.51 0.00 0.00 179.97 178.71 2klb h ASP 145 N 0.86 0.44 0.65 -3.80 1.82 -0.53 -0.24 116.42 115.62 2klb h ASP 145 Ca 0.19 -0.96 0.00 0.00 -0.39 0.00 0.00 57.03 55.87 2klb h ASP 145 Cb 0.32 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2klb h ASP 145 CO -0.00 1.37 0.00 0.54 -1.61 0.00 0.00 179.24 179.54 2klb n ARG 146 N -4.16 0.18 -0.11 0.28 5.12 0.13 -2.91 116.66 115.19 2klb n ARG 146 Ca -0.14 0.07 -0.24 0.00 -1.93 0.00 0.00 57.85 55.61 2klb n ARG 146 Cb 0.80 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 30.49 2klb n ARG 146 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2klb n LEU 147 N -1.39 2.00 0.00 0.55 0.00 -0.76 -5.00 117.00 112.40 2klb n LEU 147 Ca 0.09 0.36 0.00 0.00 0.00 0.00 0.00 56.01 56.45 2klb n LEU 147 Cb 0.24 -0.94 0.00 0.00 0.00 0.00 0.00 43.42 42.73 2klb n LEU 147 CO 0.21 0.44 0.00 -0.62 0.00 0.00 0.00 177.39 177.42 2klb n GLU 148 N -4.25 0.00 0.00 1.96 1.02 -1.15 -5.05 120.64 113.18 2klb n GLU 148 Ca -0.39 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 2klb n GLU 148 Cb 0.79 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.21 2klb n GLU 148 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2klb n HIS 149 N -1.77 0.00 -0.03 -0.32 -0.00 -0.11 -4.80 115.22 108.20 2klb n HIS 149 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2klb n HIS 149 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2klb n HIS 149 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2klb n HIS 150 N 0.00 0.00 -4.38 1.57 -0.00 -1.24 -3.82 115.22 107.35 2klb n HIS 150 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 2klb n HIS 150 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.86 2klb n HIS 150 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2klb s HIS 151 N -0.62 1.92 -0.45 1.57 4.02 -1.25 -5.02 115.29 115.46 2klb s HIS 151 Ca 0.00 -0.40 0.07 0.00 1.02 0.00 0.00 55.06 55.74 2klb s HIS 151 Cb 0.00 -1.07 0.18 0.00 -1.02 0.00 0.00 32.58 30.67 2klb s HIS 151 CO 0.00 0.21 0.61 -3.38 1.02 0.00 0.00 174.74 173.21 2klb s HIS 152 N -1.07 -1.27 0.00 1.40 -3.43 -1.26 -3.39 115.29 106.27 2klb s HIS 152 Ca 0.08 -0.44 0.00 0.00 -0.80 0.00 0.00 55.06 53.90 2klb s HIS 152 Cb -0.10 0.12 0.00 0.00 -1.43 0.00 0.00 32.58 31.17 2klb s HIS 152 CO 0.04 -1.16 0.60 1.58 -2.00 0.00 0.00 174.74 173.80 2klb n HIS 153 N 3.66 0.00 -0.40 0.38 -0.00 -1.26 -4.99 115.22 112.60 2klb n HIS 153 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 2klb n HIS 153 Cb 0.54 -0.48 0.00 0.00 -0.00 0.00 0.00 29.99 30.06 2klb n HIS 153 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92