#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 0.00-10.87 -2.25 0.44 2.08 -1.25 -1.99 119.36 105.52 2klb n ILE 2 Ca 0.00 2.49 -0.41 0.00 0.56 0.00 0.00 62.75 65.40 2klb n ILE 2 Cb 0.00 -5.27 -0.03 0.00 -0.75 0.00 0.00 39.64 33.59 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 -0.45 0.65 -0.82 7.39 0.00 0.00 -2.57 107.32 111.52 2klb s GLY 3 Ca 0.00 -0.63 -0.20 0.00 0.00 0.00 0.00 44.72 43.89 2klb s GLY 3 CO 0.00 3.04 1.05 0.14 0.00 0.00 0.00 173.10 177.34 2klb s VAL 4 N 7.12 4.59 -0.31 1.40 1.01 0.39 -1.52 120.40 133.07 2klb s VAL 4 Ca 0.59 -1.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 2klb s VAL 4 Cb -0.12 -4.74 -0.00 0.00 0.00 0.00 0.00 36.38 31.51 2klb s VAL 4 CO 0.23 -1.48 0.68 -0.36 0.00 0.00 0.00 175.10 174.18 2klb s PHE 5 N 3.18 3.20 0.05 5.22 0.40 -1.13 0.02 117.98 128.92 2klb s PHE 5 Ca 0.28 0.64 0.03 0.00 -0.60 0.00 0.00 56.93 57.28 2klb s PHE 5 Cb -0.10 -3.09 -0.03 0.00 0.51 0.00 0.00 43.02 40.32 2klb s PHE 5 CO -0.02 -0.52 -0.09 1.52 0.70 0.00 0.00 175.22 176.80 2klb s TYR 6 N 2.74 0.80 -0.64 0.36 -0.85 -0.98 -4.40 117.35 114.39 2klb s TYR 6 Ca 0.28 -0.53 -0.18 0.00 -0.52 0.00 0.00 57.07 56.12 2klb s TYR 6 Cb -0.15 -0.47 0.13 0.00 0.38 0.00 0.00 41.96 41.85 2klb s TYR 6 CO 0.12 -0.06 0.70 0.08 -1.52 0.00 0.00 175.55 174.88 2klb s VAL 7 N -1.58 4.99 0.24 -3.49 1.01 -1.25 -2.17 120.40 118.16 2klb s VAL 7 Ca -0.06 -1.34 0.17 0.00 0.00 0.00 0.00 61.98 60.75 2klb s VAL 7 Cb -0.08 -4.48 0.12 0.00 0.00 0.00 0.00 36.38 31.93 2klb s VAL 7 CO 0.00 -1.09 1.76 0.28 0.00 0.00 0.00 175.10 176.05 2klb h SER 8 N 8.92 0.00 -0.27 3.32 0.02 -1.88 -2.13 113.55 121.53 2klb h SER 8 Ca -0.21 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.61 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 1.04 0.39 -0.36 -0.08 -1.14 0.00 0.00 176.83 176.69 2klb h GLU 9 N 0.00 0.71 -4.62 3.45 4.81 -1.69 -3.43 114.58 113.81 2klb h GLU 9 Ca -0.00 -0.41 -0.69 0.00 -0.13 0.00 0.00 59.36 58.12 2klb h GLU 9 Cb 0.85 0.03 -0.31 0.00 0.63 0.00 0.00 28.75 29.95 2klb h GLU 9 CO 0.05 1.03 -0.60 -0.47 -0.73 0.00 0.00 179.01 178.29 2klb s TYR 10 N -4.24 3.35 0.00 0.92 5.04 -1.24 -5.07 117.35 116.12 2klb s TYR 10 Ca -0.12 -1.81 0.00 0.00 -2.44 0.00 0.00 57.07 52.70 2klb s TYR 10 Cb 0.09 -2.56 0.00 0.00 0.35 0.00 0.00 41.96 39.83 2klb s TYR 10 CO 0.84 -0.83 0.00 0.41 -1.34 0.00 0.00 175.55 174.63 2klb n GLY 11 N 4.72 0.76 0.00 8.97 0.00 -1.26 -3.15 105.19 115.23 2klb n GLY 11 Ca -0.10 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.07 0.00 -0.08 1.61 4.01 -1.26 -2.99 117.16 118.38 2klb n TYR 12 Ca 0.00 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.93 2klb n TYR 12 Cb 0.00 -0.11 0.63 0.00 -0.31 0.00 0.00 39.34 39.55 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 0.14 0.04 7.72 0.02 -1.74 0.33 113.55 120.06 2klb h SER 13 Ca 0.00 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2klb h SER 13 Cb 0.02 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2klb h SER 13 CO 0.00 0.07 -0.20 -0.78 -1.14 0.00 0.00 176.83 174.78 2klb h ASP 14 N 0.15 0.29 0.45 3.07 3.58 -1.28 -3.22 116.42 119.46 2klb h ASP 14 Ca 0.31 -0.08 -0.12 0.00 0.42 0.00 0.00 57.03 57.56 2klb h ASP 14 Cb 1.04 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.99 2klb h ASP 14 CO -0.05 0.51 -1.65 0.54 -2.88 0.00 0.00 179.24 175.72 2klb n ARG 15 N -4.19 0.64 -0.36 0.28 5.12 0.89 -4.23 116.66 114.80 2klb n ARG 15 Ca -0.01 0.05 0.07 0.00 -1.93 0.00 0.00 57.85 56.04 2klb n ARG 15 Cb 0.34 -1.69 0.24 0.00 -1.16 0.00 0.00 32.46 30.19 2klb n ARG 15 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2klb h LEU 16 N 0.00 0.93 -1.30 0.55 3.38 -0.79 -0.27 115.31 117.81 2klb h LEU 16 Ca -0.15 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2klb h LEU 16 Cb 1.42 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2klb h LEU 16 CO 0.02 0.49 -0.16 0.00 0.09 0.00 0.00 178.44 178.89 2klb h ALA 17 N 1.54 1.04 -0.44 1.53 0.00 -1.74 -3.05 119.26 118.15 2klb h ALA 17 Ca 0.50 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2klb h ALA 17 Cb 0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2klb h ALA 17 CO -0.26 0.20 0.19 0.37 0.00 0.00 0.00 179.25 179.74 2klb h GLN 18 N 0.00 0.62 -0.81 0.00 4.15 -1.23 0.07 115.11 117.91 2klb h GLN 18 Ca -0.00 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 2klb h GLN 18 Cb 0.64 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.17 2klb h GLN 18 CO 0.02 0.50 0.41 0.00 -1.93 0.00 0.00 178.83 177.83 2klb h ALA 19 N 1.59 1.04 0.26 3.38 0.00 -1.57 0.11 119.26 124.08 2klb h ALA 19 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2klb h ALA 19 Cb 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2klb h ALA 19 CO -0.02 0.59 -0.12 0.82 0.00 0.00 0.00 179.25 180.51 2klb h ILE 20 N 1.14 0.78 -0.75 0.00 2.04 -1.37 -2.49 117.51 116.86 2klb h ILE 20 Ca 0.28 -0.27 0.12 0.00 1.00 0.00 0.00 64.86 65.99 2klb h ILE 20 Cb 0.09 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.02 2klb h ILE 20 CO -0.04 0.06 0.34 0.40 0.00 0.00 0.00 178.15 178.91 2klb h ILE 21 N -0.49 0.74 -0.26 -0.67 2.04 -0.86 -1.62 117.51 116.40 2klb h ILE 21 Ca -0.04 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.68 2klb h ILE 21 Cb 0.36 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 2klb h ILE 21 CO 0.06 0.10 0.05 -1.13 0.00 0.00 0.00 178.15 177.22 2klb h ASN 22 N 0.53 0.00 -0.62 1.72 -1.24 -0.68 0.13 115.58 115.43 2klb h ASN 22 Ca 0.40 0.04 -0.03 0.00 0.71 0.00 0.00 56.30 57.41 2klb h ASN 22 Cb 0.53 0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.61 2klb h ASN 22 CO -0.34 0.04 0.26 1.23 -1.29 0.00 0.00 177.43 177.32 2klb h GLY 23 N 0.14 0.98 0.78 1.57 0.00 -0.93 0.23 103.07 105.85 2klb h GLY 23 Ca 0.12 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2klb h GLY 23 CO -0.16 0.50 0.01 -2.22 0.00 0.00 0.00 176.54 174.67 2klb h ILE 24 N 0.85 1.23 -0.24 2.60 2.04 -1.01 -1.14 117.51 121.85 2klb h ILE 24 Ca 0.21 -0.72 -0.11 0.00 1.00 0.00 0.00 64.86 65.24 2klb h ILE 24 Cb 0.19 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2klb h ILE 24 CO -0.02 0.21 -0.32 0.00 0.00 0.00 0.00 178.15 178.01 2klb h THR 25 N -0.08 1.28 -0.15 -0.27 1.03 -0.95 -1.63 112.91 112.14 2klb h THR 25 Ca 0.03 -1.41 -0.03 0.00 -0.01 0.00 0.00 66.41 64.98 2klb h THR 25 Cb 0.31 1.46 -0.01 0.00 -1.07 0.00 0.00 68.15 68.84 2klb h THR 25 CO 0.00 0.45 -0.07 0.50 -0.01 0.00 0.00 175.52 176.39 2klb h LYS 26 N 0.43 0.22 0.00 0.00 3.64 -0.88 0.36 116.57 120.33 2klb h LYS 26 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2klb h LYS 26 Cb 0.78 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2klb h LYS 26 CO 0.06 0.30 0.00 2.41 -2.27 0.00 0.00 179.45 179.96 2klb n THR 27 N -4.34 0.69 -0.38 1.00 -1.04 -0.44 -4.92 114.28 104.85 2klb n THR 27 Ca -0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2klb n THR 27 Cb 0.21 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 2klb n THR 27 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2klb n GLY 28 N 0.68 1.37 3.36 3.41 0.00 0.12 -5.09 105.19 109.05 2klb n GLY 28 Ca 0.04 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 2.29 0.27 1.61 1.01 -0.68 -5.00 120.40 117.90 2klb s VAL 29 Ca 0.00 -1.19 -0.29 0.00 0.00 0.00 0.00 61.98 60.50 2klb s VAL 29 Cb 0.00 -1.86 -0.09 0.00 0.00 0.00 0.00 36.38 34.42 2klb s VAL 29 CO 0.00 0.47 1.00 -0.83 0.00 0.00 0.00 175.10 175.74 2klb s GLY 30 N -0.97 3.05 0.01 4.51 0.00 -1.26 -3.52 107.32 109.14 2klb s GLY 30 Ca 0.11 0.72 0.01 0.00 0.00 0.00 0.00 44.72 45.56 2klb s GLY 30 CO 0.01 1.28 0.04 -1.34 0.00 0.00 0.00 173.10 173.09 2klb s VAL 31 N -1.24 4.39 -0.35 1.40 -7.23 -1.26 0.00 120.40 116.12 2klb s VAL 31 Ca 0.44 -0.55 -0.09 0.00 -1.81 0.00 0.00 61.98 59.97 2klb s VAL 31 Cb -0.27 -2.99 0.03 0.00 0.56 0.00 0.00 36.38 33.70 2klb s VAL 31 CO 0.34 0.34 0.15 -1.81 -0.31 0.00 0.00 175.10 173.81 2klb s ASP 32 N -1.70 5.49 -0.37 4.85 1.01 -0.84 -4.59 116.67 120.51 2klb s ASP 32 Ca 0.22 -1.03 -0.22 0.00 0.71 0.00 0.00 52.55 52.22 2klb s ASP 32 Cb -0.12 -1.94 0.01 0.00 1.01 0.00 0.00 42.92 41.88 2klb s ASP 32 CO 0.13 -0.34 0.72 0.68 0.21 0.00 0.00 175.17 176.57 2klb s VAL 33 N 1.48 4.78 -0.70 -1.27 -7.23 -1.26 -0.46 120.40 115.74 2klb s VAL 33 Ca 0.00 0.69 -0.13 0.00 -1.81 0.00 0.00 61.98 60.74 2klb s VAL 33 Cb -0.19 -4.17 0.18 0.00 0.56 0.00 0.00 36.38 32.76 2klb s VAL 33 CO 0.05 -0.43 0.63 -0.69 -0.31 0.00 0.00 175.10 174.34 2klb s VAL 34 N 2.97 5.19 -1.38 1.32 1.01 0.10 -4.92 120.40 124.68 2klb s VAL 34 Ca 0.28 -2.23 -0.15 0.00 0.00 0.00 0.00 61.98 59.88 2klb s VAL 34 Cb -0.14 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.00 2klb s VAL 34 CO 0.17 -0.95 2.16 -0.90 0.00 0.00 0.00 175.10 175.58 2klb n ASP 35 N 4.31 3.82 0.27 3.32 5.75 -1.26 -2.32 116.55 130.44 2klb n ASP 35 Ca 0.04 -2.83 0.14 0.00 -0.01 0.00 0.00 54.79 52.14 2klb n ASP 35 Cb 0.44 -1.62 0.78 0.00 -1.03 0.00 0.00 41.12 39.69 2klb n ASP 35 CO 0.00 0.00 0.00 0.17 -0.11 0.00 0.00 177.20 177.26 2klb h LEU 36 N 10.63 0.00 0.00 -2.12 8.10 -1.88 -1.13 115.31 128.92 2klb h LEU 36 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.53 2klb h LEU 36 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.88 2klb h LEU 36 CO 1.86 0.09 0.00 0.61 -4.11 0.00 0.00 178.44 176.89 2klb n GLY 37 N -0.67 -0.78 0.05 0.17 0.00 -0.92 -2.05 105.19 101.00 2klb n GLY 37 Ca -0.02 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.02 2.18 -2.29 4.61 0.00 -0.43 -1.75 120.51 121.81 2klb n ALA 38 Ca 0.18 -2.14 -0.03 0.00 0.00 0.00 0.00 53.44 51.44 2klb n ALA 38 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.15 -3.48 -2.04 0.00 0.00 -0.87 -5.04 120.51 107.92 2klb n ALA 39 Ca 0.11 1.43 -0.31 0.00 0.00 0.00 0.00 53.44 54.68 2klb n ALA 39 Cb 0.53 -2.79 -0.02 0.00 0.00 0.00 0.00 19.45 17.16 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 -0.63 4.71 0.53 0.00 -7.23 -1.26 -4.96 120.40 111.56 2klb s VAL 40 Ca -0.16 0.79 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 2klb s VAL 40 Cb 0.01 -3.77 -0.00 0.00 0.56 0.00 0.00 36.38 33.18 2klb s VAL 40 CO 0.56 -0.71 0.02 -0.62 -0.31 0.00 0.00 175.10 174.04 2klb s ASP 41 N -3.41 4.19 0.65 4.85 -1.08 -1.26 -5.02 116.67 115.59 2klb s ASP 41 Ca 0.54 -1.68 0.42 0.00 -0.52 0.00 0.00 52.55 51.30 2klb s ASP 41 Cb -0.10 0.65 2.28 0.00 -1.46 0.00 0.00 42.92 44.29 2klb s ASP 41 CO 0.36 -0.92 2.33 -0.07 0.52 0.00 0.00 175.17 177.40 2klb h LEU 42 N 1.27 0.00 -2.01 -1.34 -0.00 -2.00 -2.58 115.31 108.64 2klb h LEU 42 Ca -0.44 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.46 2klb h LEU 42 Cb 1.33 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.98 2klb h LEU 42 CO 0.73 0.00 0.04 1.56 -0.00 0.00 0.00 178.44 180.77 2klb h GLN 43 N 0.00 0.00 0.11 1.13 7.50 -2.02 -2.58 115.11 119.25 2klb h GLN 43 Ca -0.00 0.00 -0.28 0.00 0.50 0.00 0.00 58.65 58.87 2klb h GLN 43 Cb 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.56 2klb h GLN 43 CO 0.00 0.00 -1.42 1.49 -1.50 0.00 0.00 178.83 177.40 2klb h GLU 44 N 0.00 0.23 -0.49 1.46 4.57 -1.88 -3.37 114.58 115.10 2klb h GLU 44 Ca 0.03 -0.40 0.14 0.00 -1.18 0.00 0.00 59.36 57.95 2klb h GLU 44 Cb 0.11 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 2klb h GLU 44 CO -0.00 1.19 0.40 -0.07 -1.18 0.00 0.00 179.01 179.35 2klb h LEU 45 N -0.32 0.00 -1.57 1.64 3.38 -1.53 0.23 115.31 117.15 2klb h LEU 45 Ca -0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2klb h LEU 45 Cb 1.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 2klb h LEU 45 CO 0.05 0.00 0.12 0.08 0.09 0.00 0.00 178.44 178.78 2klb h ARG 46 N 0.00 0.40 -0.25 1.13 0.11 -1.65 -1.96 114.38 112.17 2klb h ARG 46 Ca 0.23 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.27 2klb h ARG 46 Cb 1.04 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.04 2klb h ARG 46 CO -0.00 0.34 0.00 0.39 0.10 0.00 0.00 179.97 180.79 2klb n GLU 47 N -4.42 2.40 -0.12 0.08 4.71 0.76 -4.37 120.64 119.69 2klb n GLU 47 Ca 0.01 -2.09 0.11 0.00 -0.01 0.00 0.00 57.16 55.18 2klb n GLU 47 Cb 0.13 -1.49 0.46 0.00 -1.01 0.00 0.00 31.44 29.52 2klb n GLU 47 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2klb h LEU 48 N 4.43 0.45 -2.42 -4.62 7.12 -0.67 0.20 115.31 119.80 2klb h LEU 48 Ca 0.00 0.01 0.02 0.00 0.13 0.00 0.00 57.88 58.04 2klb h LEU 48 Cb 0.96 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 41.00 2klb h LEU 48 CO 0.00 0.28 0.14 1.62 -0.13 0.00 0.00 178.44 180.34 2klb h VAL 49 N 0.51 0.31 0.13 1.05 3.04 -1.76 0.33 116.25 119.85 2klb h VAL 49 Ca 0.29 0.00 -0.35 0.00 -1.01 0.00 0.00 66.70 65.63 2klb h VAL 49 Cb 0.48 0.88 -0.01 0.00 -2.01 0.00 0.00 31.29 30.63 2klb h VAL 49 CO -0.09 0.00 -1.88 1.23 -1.01 0.00 0.00 177.57 175.82 2klb h GLY 50 N 0.00 0.31 2.00 3.17 0.00 -0.94 -3.37 103.07 104.24 2klb h GLY 50 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.57 2klb h GLY 50 CO -0.00 0.70 0.00 3.21 0.00 0.00 0.00 176.54 180.45 2klb h ARG 51 N -0.01 0.00 0.00 4.80 -0.00 -0.82 -3.14 114.38 115.20 2klb h ARG 51 Ca -0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.08 2klb h ARG 51 Cb 1.98 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.95 2klb h ARG 51 CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 179.97 180.05 2klb h THR 53 N 0.00 0.94 -1.47 0.00 1.35 -1.79 -3.42 112.91 108.52 2klb h THR 53 Ca 0.00 -1.40 0.11 0.00 -0.55 0.00 0.00 66.41 64.57 2klb h THR 53 Cb 0.18 1.83 -0.28 0.00 -1.73 0.00 0.00 68.15 68.15 2klb h THR 53 CO 0.00 0.35 0.50 -0.83 -0.25 0.00 0.00 175.52 175.29 2klb s GLY 54 N -4.33 0.02 0.11 5.82 0.00 -0.79 -4.16 107.32 103.99 2klb s GLY 54 Ca -0.01 3.04 -0.26 0.00 0.00 0.00 0.00 44.72 47.49 2klb s GLY 54 CO 0.68 2.20 1.01 0.48 0.00 0.00 0.00 173.10 177.47 2klb s LEU 55 N 0.68 -0.17 -0.05 0.66 2.34 -1.19 -0.82 118.68 120.13 2klb s LEU 55 Ca -0.02 -0.33 0.01 0.00 0.06 0.00 0.00 54.13 53.85 2klb s LEU 55 Cb -0.04 2.02 0.02 0.00 -0.56 0.00 0.00 46.19 47.63 2klb s LEU 55 CO -0.11 -0.78 -0.04 0.54 -1.06 0.00 0.00 176.35 174.90 2klb s VAL 56 N -3.13 0.50 -0.09 1.48 0.11 -0.58 0.13 120.40 118.82 2klb s VAL 56 Ca 0.12 -0.08 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 2klb s VAL 56 Cb -0.00 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 2klb s VAL 56 CO 0.00 0.23 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.24 2klb s ILE 57 N 1.08 3.12 -0.10 7.04 1.09 0.59 -2.85 121.20 131.17 2klb s ILE 57 Ca -0.09 -0.67 0.02 0.00 -1.10 0.00 0.00 60.65 58.81 2klb s ILE 57 Cb -0.14 -2.27 -0.02 0.00 -1.06 0.00 0.00 42.46 38.98 2klb s ILE 57 CO -0.01 0.56 -0.15 -0.83 -0.10 0.00 0.00 174.94 174.41 2klb s GLY 58 N -0.21 1.50 -0.28 6.18 0.00 -1.26 -2.12 107.32 111.13 2klb s GLY 58 Ca 0.01 -0.93 -0.28 0.00 0.00 0.00 0.00 44.72 43.51 2klb s GLY 58 CO 0.03 -0.41 1.90 -0.29 0.00 0.00 0.00 173.10 174.33 2klb s MET 59 N -0.01 3.33 0.04 2.90 1.75 -0.58 -4.96 119.30 121.78 2klb s MET 59 Ca -0.04 1.63 0.01 0.00 -1.25 0.00 0.00 55.69 56.03 2klb s MET 59 Cb -0.14 -4.23 -0.04 0.00 2.84 0.00 0.00 34.83 33.26 2klb s MET 59 CO 0.04 -1.86 0.12 -1.54 -0.65 0.00 0.00 175.02 171.13 2klb s SER 60 N 6.48 5.83 0.90 1.11 1.04 -1.26 -3.76 113.70 124.04 2klb s SER 60 Ca 0.85 0.13 -0.10 0.00 0.48 0.00 0.00 55.95 57.30 2klb s SER 60 Cb -0.26 -1.68 0.14 0.00 0.10 0.00 0.00 66.02 64.32 2klb s SER 60 CO 0.34 0.21 1.15 -2.16 0.98 0.00 0.00 173.24 173.76 2klb s PRO 61 N -2.18 1.11 0.30 4.02 0.04 -1.26 -3.76 135.00 133.27 2klb s PRO 61 Ca 0.28 1.56 0.06 0.00 0.04 0.00 0.00 61.00 62.94 2klb s PRO 61 Cb -0.12 -1.74 0.74 0.00 0.04 0.00 0.00 34.50 33.42 2klb s PRO 61 CO 0.21 -2.57 1.76 0.00 0.04 0.00 0.00 177.00 176.44 2klb h ALA 62 N -1.77 1.63 -0.16 8.56 0.00 -1.93 0.21 119.26 125.80 2klb h ALA 62 Ca -0.43 0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.62 2klb h ALA 62 Cb 1.27 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 2klb h ALA 62 CO 0.42 -0.12 -0.22 0.00 0.00 0.00 0.00 179.25 179.33 2klb h ALA 63 N 1.66 -0.16 0.05 0.00 0.00 -2.02 -1.52 119.26 117.26 2klb h ALA 63 Ca 0.58 0.05 -0.23 0.00 0.00 0.00 0.00 54.91 55.31 2klb h ALA 63 Cb 0.94 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2klb h ALA 63 CO -0.41 -0.67 -1.07 0.77 0.00 0.00 0.00 179.25 177.87 2klb h SER 64 N -0.27 0.19 -0.06 0.00 0.02 -1.70 -3.26 113.55 108.47 2klb h SER 64 Ca 0.11 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2klb h SER 64 Cb 0.43 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2klb h SER 64 CO -0.32 1.13 0.05 0.00 -1.14 0.00 0.00 176.83 176.55 2klb h ALA 65 N 0.85 1.82 -0.32 3.77 0.00 -0.26 -1.52 119.26 123.60 2klb h ALA 65 Ca -0.06 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2klb h ALA 65 Cb 1.80 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2klb h ALA 65 CO 0.16 -0.08 0.23 0.00 0.00 0.00 0.00 179.25 179.56 2klb h ALA 66 N 1.95 2.27 0.00 0.00 0.00 -1.33 0.27 119.26 122.42 2klb h ALA 66 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2klb h ALA 66 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2klb h ALA 66 CO -0.00 -0.40 -0.18 0.77 0.00 0.00 0.00 179.25 179.44 2klb h SER 67 N 0.00 0.00 0.00 0.00 0.02 -1.50 -3.38 113.55 108.69 2klb h SER 67 Ca 0.15 -0.03 -0.44 0.00 -0.84 0.00 0.00 61.79 60.64 2klb h SER 67 Cb 0.62 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.09 2klb h SER 67 CO -0.00 0.01 -2.50 -0.38 -1.14 0.00 0.00 176.83 172.82 2klb n ILE 68 N -2.63 1.48 -0.29 3.27 5.41 -0.03 -4.50 119.36 122.07 2klb n ILE 68 Ca 0.04 -0.42 0.11 0.00 1.00 0.00 0.00 62.75 63.48 2klb n ILE 68 Cb 0.48 -1.76 0.26 0.00 -0.71 0.00 0.00 39.64 37.91 2klb n ILE 68 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 2klb h GLN 69 N -0.76 0.16 0.59 0.38 4.15 -0.75 0.17 115.11 119.06 2klb h GLN 69 Ca -0.66 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 58.72 2klb h GLN 69 Cb 1.66 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 29.32 2klb h GLN 69 CO -0.34 0.11 -0.29 0.78 -1.93 0.00 0.00 178.83 177.16 2klb h GLY 70 N 0.16 -0.83 2.00 2.39 0.00 -1.83 -3.19 103.07 101.77 2klb h GLY 70 Ca 0.52 0.31 -0.02 0.00 0.00 0.00 0.00 47.33 48.14 2klb h GLY 70 CO -0.68 -0.30 -0.11 0.00 0.00 0.00 0.00 176.54 175.45 2klb h ALA 71 N -1.61 1.70 -0.68 3.60 0.00 -1.68 -2.37 119.26 118.22 2klb h ALA 71 Ca -0.08 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.86 2klb h ALA 71 Cb 0.61 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2klb h ALA 71 CO 0.13 0.13 0.46 1.25 0.00 0.00 0.00 179.25 181.22 2klb h LEU 72 N 0.00 0.35 -1.08 0.00 6.46 -0.66 -1.29 115.31 119.09 2klb h LEU 72 Ca -0.00 0.01 0.12 0.00 -0.12 0.00 0.00 57.88 57.90 2klb h LEU 72 Cb 0.20 -0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.00 2klb h LEU 72 CO 0.01 0.20 0.62 0.28 -0.62 0.00 0.00 178.44 178.93 2klb h SER 73 N 0.38 0.86 0.01 1.25 0.02 -1.42 -1.46 113.55 113.19 2klb h SER 73 Ca 0.33 0.04 -0.21 0.00 -0.84 0.00 0.00 61.79 61.11 2klb h SER 73 Cb 0.74 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.16 2klb h SER 73 CO -0.09 0.46 -0.78 0.74 -1.14 0.00 0.00 176.83 176.01 2klb h THR 74 N 0.93 1.31 0.82 -2.27 2.02 -1.42 -3.27 112.91 111.04 2klb h THR 74 Ca 0.48 -2.06 -0.04 0.00 0.77 0.00 0.00 66.41 65.56 2klb h THR 74 Cb 0.52 2.06 0.01 0.00 -1.74 0.00 0.00 68.15 69.00 2klb h THR 74 CO -0.24 0.64 -0.40 0.40 0.37 0.00 0.00 175.52 176.29 2klb h ILE 75 N 0.44 0.18 0.00 3.11 2.04 -1.14 0.17 117.51 122.30 2klb h ILE 75 Ca -0.05 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2klb h ILE 75 Cb 1.40 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2klb h ILE 75 CO 0.15 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.48 2klb n LEU 76 N -5.56 0.29 -0.08 1.44 4.32 -0.79 -1.03 117.00 115.60 2klb n LEU 76 Ca -0.15 0.63 -0.10 0.00 -0.02 0.00 0.00 56.01 56.37 2klb n LEU 76 Cb 0.44 -0.66 -0.15 0.00 -1.62 0.00 0.00 43.42 41.43 2klb n LEU 76 CO 0.39 -0.71 -0.98 0.61 -1.22 0.00 0.00 177.39 175.48 2klb n GLY 77 N -1.27 -0.98 0.16 -0.72 0.00 -1.01 -4.43 105.19 96.94 2klb n GLY 77 Ca -0.00 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.21 1.61 0.02 0.76 -3.46 113.55 108.28 2klb h SER 78 Ca -0.48 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.95 2klb h SER 78 Cb 2.17 0.00 0.15 0.00 0.14 0.00 0.00 62.40 64.86 2klb h SER 78 CO 0.04 0.40 0.36 0.68 -1.14 0.00 0.00 176.83 177.17 2klb s VAL 79 N -3.06 2.56 0.63 2.27 -7.23 -0.58 -4.90 120.40 110.08 2klb s VAL 79 Ca 0.04 0.25 -0.11 0.00 -1.81 0.00 0.00 61.98 60.35 2klb s VAL 79 Cb 0.07 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 2klb s VAL 79 CO 0.72 -0.17 1.03 0.21 -0.31 0.00 0.00 175.10 176.59 2klb s ASN 80 N -2.35 6.14 0.36 4.85 3.84 -1.26 -4.96 114.94 121.56 2klb s ASN 80 Ca 0.71 1.38 0.09 0.00 0.21 0.00 0.00 52.86 55.24 2klb s ASN 80 Cb -0.25 -2.40 0.83 0.00 -0.55 0.00 0.00 41.25 38.87 2klb s ASN 80 CO 0.47 -0.92 1.89 -0.08 -2.79 0.00 0.00 177.10 175.67 2klb h GLU 81 N -0.35 0.66 -3.45 0.43 4.81 -1.95 -3.39 114.58 111.33 2klb h GLU 81 Ca -0.44 -0.04 -0.37 0.00 -0.13 0.00 0.00 59.36 58.38 2klb h GLU 81 Cb 1.20 -0.15 -0.38 0.00 0.63 0.00 0.00 28.75 30.05 2klb h GLU 81 CO 0.62 0.43 -0.75 -1.59 -0.73 0.00 0.00 179.01 177.00 2klb s LYS 82 N -5.65 0.10 0.21 1.92 -2.85 -1.26 -4.62 119.74 107.59 2klb s LYS 82 Ca -0.10 0.27 -0.23 0.00 -1.00 0.00 0.00 55.97 54.91 2klb s LYS 82 Cb 0.21 -0.57 0.04 0.00 -2.06 0.00 0.00 37.83 35.46 2klb s LYS 82 CO 0.78 -0.29 0.86 -1.14 0.10 0.00 0.00 175.35 175.66 2klb s GLN 83 N 1.90 1.45 -0.82 1.78 2.00 -1.26 -5.11 119.66 119.59 2klb s GLN 83 Ca 0.02 -0.80 -0.20 0.00 -2.00 0.00 0.00 55.36 52.38 2klb s GLN 83 Cb -0.12 0.49 0.11 0.00 0.80 0.00 0.00 33.01 34.29 2klb s GLN 83 CO -0.03 -0.66 1.05 0.00 -0.50 0.00 0.00 175.29 175.14 2klb s ALA 84 N -3.56 3.29 0.07 1.58 0.00 -1.26 -4.08 121.76 117.80 2klb s ALA 84 Ca 0.12 -2.44 0.04 0.00 0.00 0.00 0.00 51.96 49.67 2klb s ALA 84 Cb -0.03 -3.95 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 2klb s ALA 84 CO 0.04 -2.87 0.01 0.14 0.00 0.00 0.00 175.76 173.08 2klb s VAL 85 N 3.12 4.15 0.03 0.00 -7.23 -1.26 -3.17 120.40 116.03 2klb s VAL 85 Ca 0.28 -0.85 0.04 0.00 -1.81 0.00 0.00 61.98 59.63 2klb s VAL 85 Cb -0.10 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 2klb s VAL 85 CO -0.02 0.18 -0.04 -0.83 -0.31 0.00 0.00 175.10 174.08 2klb s GLY 86 N -2.14 1.82 -0.03 2.32 0.00 0.12 -4.28 107.32 105.13 2klb s GLY 86 Ca 0.25 -1.05 -0.01 0.00 0.00 0.00 0.00 44.72 43.91 2klb s GLY 86 CO 0.17 -0.96 0.05 -0.42 0.00 0.00 0.00 173.10 171.95 2klb s ILE 87 N -1.11 -0.04 0.11 0.90 -1.09 -1.26 -0.30 121.20 118.41 2klb s ILE 87 Ca 0.20 0.15 -0.15 0.00 -2.23 0.00 0.00 60.65 58.63 2klb s ILE 87 Cb -0.11 -0.11 0.03 0.00 -1.58 0.00 0.00 42.46 40.69 2klb s ILE 87 CO 0.11 0.06 0.36 0.72 -1.23 0.00 0.00 174.94 174.96 2klb s PHE 88 N 0.82 -0.14 -0.11 3.97 -0.71 -0.90 -0.52 117.98 120.39 2klb s PHE 88 Ca -0.07 -0.17 -0.05 0.00 -1.04 0.00 0.00 56.93 55.61 2klb s PHE 88 Cb -0.09 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.87 2klb s PHE 88 CO -0.03 -0.65 0.06 -1.83 -1.34 0.00 0.00 175.22 171.43 2klb s GLU 89 N -3.66 3.28 0.00 1.99 -1.05 -1.26 -1.52 118.70 116.47 2klb s GLU 89 Ca 0.02 -0.29 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 2klb s GLU 89 Cb 0.02 -3.00 0.00 0.00 -0.44 0.00 0.00 34.13 30.71 2klb s GLU 89 CO -0.11 0.69 0.68 -2.37 0.95 0.00 0.00 175.26 175.09 2klb n THR 90 N 2.23 0.38 0.00 1.83 5.66 -1.25 -4.93 114.28 118.21 2klb n THR 90 Ca -0.19 -0.67 0.00 0.00 -3.05 0.00 0.00 64.05 60.14 2klb n THR 90 Cb 0.54 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 70.16 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 -0.19 0.85 0.00 1.09 0.00 -1.26 -3.48 105.19 102.20 2klb n GLY 91 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2klb n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2klb n GLY 92 N 1.39 -1.54 0.85 -0.02 0.00 -1.25 -1.95 105.19 102.67 2klb n GLY 92 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 0.59 4.01 -0.02 0.00 -1.26 -4.92 105.19 103.59 2klb n GLY 93 Ca 0.00 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.55 4.83 0.50 1.61 1.01 -1.26 -5.01 116.67 115.79 2klb s ASP 94 Ca 0.00 -0.55 0.00 0.00 0.71 0.00 0.00 52.55 52.71 2klb s ASP 94 Cb 0.00 0.01 0.00 0.00 1.01 0.00 0.00 42.92 43.94 2klb s ASP 94 CO 0.00 -1.51 0.00 -0.67 0.21 0.00 0.00 175.17 173.20 2klb n ASP 95 N -2.47 -6.34 -0.11 0.27 2.03 -1.25 -4.73 116.55 103.95 2klb n ASP 95 Ca 0.14 1.16 -0.20 0.00 0.52 0.00 0.00 54.79 56.42 2klb n ASP 95 Cb 0.61 -3.99 -0.07 0.00 -0.72 0.00 0.00 41.12 36.95 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 -3.89 0.51 0.00 -0.67 1.02 -1.26 -4.44 120.64 111.91 2klb n GLU 96 Ca -0.07 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2klb n GLU 96 Cb 0.55 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 2klb n GLU 96 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2klb n PRO 97 N -4.22 0.76 -0.25 3.49 -0.02 -1.26 -4.26 135.00 129.24 2klb n PRO 97 Ca -0.35 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.29 2klb n PRO 97 Cb 0.70 -1.30 0.46 0.00 -0.02 0.00 0.00 33.50 33.34 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 0.07 0.73 0.29 4.25 2.10 -1.85 -2.00 117.51 121.10 2klb h ILE 98 Ca 0.00 -0.17 -0.01 0.00 1.08 0.00 0.00 64.86 65.75 2klb h ILE 98 Cb 0.50 0.18 0.00 0.00 -1.09 0.00 0.00 36.82 36.41 2klb h ILE 98 CO 0.00 0.09 -0.14 0.44 -1.08 0.00 0.00 178.15 177.46 2klb h ASP 99 N 0.50 -0.33 -0.68 2.19 3.32 -1.94 -0.52 116.42 118.96 2klb h ASP 99 Ca 0.46 -0.17 0.13 0.00 0.02 0.00 0.00 57.03 57.47 2klb h ASP 99 Cb 1.00 0.09 -0.10 0.00 0.22 0.00 0.00 39.33 40.54 2klb h ASP 99 CO -0.19 0.02 0.19 -0.65 -1.72 0.00 0.00 179.24 176.88 2klb h PRO 100 N -0.71 0.31 0.41 3.56 0.11 -1.85 0.18 132.00 134.01 2klb h PRO 100 Ca -0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 2klb h PRO 100 Cb 0.48 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 2klb h PRO 100 CO 0.07 0.20 -0.43 -0.07 -0.21 0.00 0.00 178.00 177.56 2klb h LEU 101 N 0.32 -1.17 -1.73 2.35 4.07 -1.28 -1.09 115.31 116.78 2klb h LEU 101 Ca 0.37 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.43 2klb h LEU 101 Cb 0.58 0.39 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 2klb h LEU 101 CO -0.43 -0.58 0.11 -0.07 -1.08 0.00 0.00 178.44 176.39 2klb h LEU 102 N -0.86 0.26 -1.03 1.67 3.38 -0.87 -1.60 115.31 116.25 2klb h LEU 102 Ca -0.04 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2klb h LEU 102 Cb 0.77 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2klb h LEU 102 CO -0.07 0.22 0.24 -1.28 0.09 0.00 0.00 178.44 177.63 2klb h SER 103 N 0.30 0.85 -0.61 -0.43 0.87 -0.19 0.14 113.55 114.49 2klb h SER 103 Ca 0.08 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 2klb h SER 103 Cb 0.02 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 2klb h SER 103 CO -0.01 0.77 0.17 0.50 -0.53 0.00 0.00 176.83 177.73 2klb h LYS 104 N 0.91 0.96 -0.29 2.24 1.63 -0.20 0.26 116.57 122.07 2klb h LYS 104 Ca 0.21 -0.22 -0.08 0.00 -0.85 0.00 0.00 60.65 59.71 2klb h LYS 104 Cb 0.20 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2klb h LYS 104 CO -0.02 0.87 -0.13 0.74 -3.45 0.00 0.00 179.45 177.46 2klb h PHE 105 N 0.87 0.69 -0.65 1.91 0.04 -1.28 -3.07 116.94 115.45 2klb h PHE 105 Ca 0.19 -0.17 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 2klb h PHE 105 Cb 0.32 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 2klb h PHE 105 CO 0.02 0.83 0.13 -0.09 -0.60 0.00 0.00 178.31 178.60 2klb h ARG 106 N 0.35 1.04 -0.01 1.51 2.43 -0.52 0.27 114.38 119.46 2klb h ARG 106 Ca 0.07 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2klb h ARG 106 Cb 0.64 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2klb h ARG 106 CO 0.04 0.94 0.00 -0.97 -1.51 0.00 0.00 179.97 178.48 2klb h ASN 107 N 0.99 0.01 1.12 -3.80 -0.73 -0.53 -2.65 115.58 109.99 2klb h ASN 107 Ca 0.20 -0.11 -0.06 0.00 1.87 0.00 0.00 56.30 58.20 2klb h ASN 107 Cb 0.39 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.97 2klb h ASN 107 CO 0.01 0.12 -0.30 -0.07 -0.37 0.00 0.00 177.43 176.82 2klb h LEU 108 N -0.10 0.00 -1.34 0.34 4.07 -1.49 -3.48 115.31 113.31 2klb h LEU 108 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2klb h LEU 108 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 2klb h LEU 108 CO -0.00 0.30 0.00 0.61 -1.08 0.00 0.00 178.44 178.27 2klb n GLY 109 N 0.48 0.78 3.83 0.83 0.00 0.77 -4.80 105.19 107.08 2klb n GLY 109 Ca 0.01 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 2klb n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2klb s LEU 110 N -1.34 3.41 -0.40 0.99 1.43 -0.15 -4.95 118.68 117.67 2klb s LEU 110 Ca 0.00 1.64 -0.28 0.00 -1.03 0.00 0.00 54.13 54.47 2klb s LEU 110 Cb 0.00 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 2klb s LEU 110 CO 0.00 -1.03 1.91 -0.89 0.23 0.00 0.00 176.35 176.57 2klb s THR 111 N -2.74 3.36 -0.84 5.49 2.01 -1.26 -4.87 115.64 116.79 2klb s THR 111 Ca 0.60 0.33 -0.23 0.00 0.31 0.00 0.00 61.69 62.69 2klb s THR 111 Cb -0.13 -3.60 0.07 0.00 0.01 0.00 0.00 72.50 68.85 2klb s THR 111 CO 0.42 -0.46 1.22 0.42 -0.69 0.00 0.00 174.62 175.53 2klb s THR 112 N 8.06 4.14 0.00 -0.82 -4.23 -1.26 -4.40 115.64 117.13 2klb s THR 112 Ca 0.80 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 2klb s THR 112 Cb -0.20 -4.87 0.00 0.00 1.34 0.00 0.00 72.50 68.76 2klb s THR 112 CO 0.30 -1.71 0.96 0.00 -0.54 0.00 0.00 174.62 173.63 2klb n ALA 113 N 8.22 -0.32 -3.82 3.99 0.00 -1.26 -4.40 120.51 122.93 2klb n ALA 113 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 2klb n ALA 113 Cb 0.49 0.15 -0.13 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.85 2.50 -0.71 0.00 5.36 0.32 -4.93 117.98 117.66 2klb s PHE 114 Ca 0.00 -2.75 -0.23 0.00 -0.96 0.00 0.00 56.93 52.99 2klb s PHE 114 Cb 0.00 -2.29 0.07 0.00 -0.34 0.00 0.00 43.02 40.46 2klb s PHE 114 CO 0.00 -0.76 1.03 -1.25 -1.46 0.00 0.00 175.22 172.77 2klb s PRO 115 N 0.08 3.18 0.06 10.12 0.04 -1.26 -4.05 135.00 143.16 2klb s PRO 115 Ca 0.17 -0.87 -0.27 0.00 0.04 0.00 0.00 61.00 60.07 2klb s PRO 115 Cb -0.25 -4.33 0.09 0.00 0.04 0.00 0.00 34.50 30.05 2klb s PRO 115 CO 0.00 -1.86 0.77 0.00 0.04 0.00 0.00 177.00 175.95 2klb s ALA 116 N 4.13 -1.73 -0.12 8.56 0.00 -1.26 -5.06 121.76 126.29 2klb s ALA 116 Ca 0.25 0.82 0.23 0.00 0.00 0.00 0.00 51.96 53.27 2klb s ALA 116 Cb -0.14 0.57 0.46 0.00 0.00 0.00 0.00 23.12 24.01 2klb s ALA 116 CO 0.08 -0.70 1.15 0.44 0.00 0.00 0.00 175.76 176.73 2klb n ILE 117 N -0.24 0.68 -0.62 0.00 -0.00 -1.26 -4.60 119.36 113.31 2klb n ILE 117 Ca -0.12 -1.95 0.05 0.00 -0.00 0.00 0.00 62.75 60.73 2klb n ILE 117 Cb 0.63 0.98 0.34 0.00 -0.00 0.00 0.00 39.64 41.59 2klb n ILE 117 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2klb n ARG 118 N -0.04 4.30 -3.93 6.28 1.74 -1.26 -4.20 116.66 119.55 2klb n ARG 118 Ca 0.08 -2.69 -0.31 0.00 -0.77 0.00 0.00 57.85 54.16 2klb n ARG 118 Cb 0.99 -2.16 -0.04 0.00 -1.02 0.00 0.00 32.46 30.23 2klb n ARG 118 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2klb s ILE 119 N -2.51 5.33 0.03 0.55 1.01 -1.26 -5.06 121.20 119.28 2klb s ILE 119 Ca 0.47 -0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 2klb s ILE 119 Cb 0.36 -3.58 -0.08 0.00 0.01 0.00 0.00 42.46 39.16 2klb s ILE 119 CO 0.13 0.16 1.23 0.50 0.00 0.00 0.00 174.94 176.97 2klb h LYS 120 N 3.19 -0.50 0.00 2.79 1.63 -1.89 -3.31 116.57 118.48 2klb h LYS 120 Ca -0.46 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 2klb h LYS 120 Cb 1.16 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 2klb h LYS 120 CO 0.74 -0.34 0.00 0.94 -3.45 0.00 0.00 179.45 177.35 2klb n GLN 121 N -3.50 0.00 -3.10 1.90 -0.06 -0.82 -4.13 117.38 107.67 2klb n GLN 121 Ca -0.06 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.52 2klb n GLN 121 Cb 0.21 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.33 2klb n GLN 121 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2klb s THR 122 N -0.09 4.93 0.25 1.69 -4.23 -1.26 -4.19 115.64 112.74 2klb s THR 122 Ca 0.00 0.94 -0.30 0.00 -1.18 0.00 0.00 61.69 61.15 2klb s THR 122 Cb 0.00 -4.00 -0.10 0.00 1.34 0.00 0.00 72.50 69.73 2klb s THR 122 CO 0.00 -0.12 1.50 -2.16 -0.54 0.00 0.00 174.62 173.30 2klb s PRO 123 N 2.63 4.21 0.39 3.99 0.04 -1.23 -4.95 135.00 140.09 2klb s PRO 123 Ca 0.26 2.40 0.08 0.00 0.04 0.00 0.00 61.00 63.77 2klb s PRO 123 Cb -0.15 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2klb s PRO 123 CO 0.11 -0.51 0.52 0.95 0.04 0.00 0.00 177.00 178.12 2klb s THR 124 N 0.13 3.31 0.52 1.26 -4.23 -1.26 -4.92 115.64 110.44 2klb s THR 124 Ca 0.62 -1.02 0.17 0.00 -1.18 0.00 0.00 61.69 60.27 2klb s THR 124 Cb -0.44 -3.12 0.28 0.00 1.34 0.00 0.00 72.50 70.56 2klb s THR 124 CO 0.43 -0.05 2.14 1.05 -0.54 0.00 0.00 174.62 177.65 2klb h GLU 125 N 0.75 0.00 -0.04 3.99 4.11 -2.02 -1.34 114.58 120.03 2klb h GLU 125 Ca -0.42 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 58.86 2klb h GLU 125 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2klb h GLU 125 CO 0.48 0.00 -0.67 -0.91 0.07 0.00 0.00 179.01 177.99 2klb h ASN 126 N 0.00 0.19 -0.73 3.06 2.35 -2.01 -3.05 115.58 115.38 2klb h ASN 126 Ca 0.02 -0.12 0.10 0.00 -0.55 0.00 0.00 56.30 55.75 2klb h ASN 126 Cb 0.08 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 2klb h ASN 126 CO -0.00 0.80 0.48 0.74 -1.65 0.00 0.00 177.43 177.80 2klb h THR 127 N 0.11 0.92 -0.35 2.81 2.02 -1.62 -1.59 112.91 115.21 2klb h THR 127 Ca -0.01 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.01 2klb h THR 127 Cb 1.19 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 2klb h THR 127 CO 0.10 0.11 0.07 1.88 0.37 0.00 0.00 175.52 178.05 2klb h TYR 128 N 0.62 0.11 -0.15 3.16 -1.99 -1.52 -1.93 116.97 115.27 2klb h TYR 128 Ca 0.34 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 61.00 2klb h TYR 128 Cb 0.50 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 2klb h TYR 128 CO -0.00 0.01 -0.29 0.87 -0.00 0.00 0.00 178.16 178.75 2klb h LYS 129 N 0.19 0.29 0.16 4.88 6.56 -1.43 0.34 116.57 127.55 2klb h LYS 129 Ca 0.17 -0.11 0.01 0.00 -1.06 0.00 0.00 60.65 59.66 2klb h LYS 129 Cb 0.19 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.81 2klb h LYS 129 CO -0.22 0.56 -0.21 1.25 -2.06 0.00 0.00 179.45 178.77 2klb h LEU 130 N 0.26 -0.56 -0.86 2.94 5.85 -0.91 -1.56 115.31 120.47 2klb h LEU 130 Ca 0.04 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 2klb h LEU 130 Cb 0.65 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2klb h LEU 130 CO 0.05 -0.30 -0.34 0.00 -0.34 0.00 0.00 178.44 177.51 2klb h GLU 132 N 0.37 -0.42 -0.28 0.00 4.81 -0.02 0.12 114.58 119.16 2klb h GLU 132 Ca 0.04 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2klb h GLU 132 Cb 0.78 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2klb h GLU 132 CO 0.06 -0.28 0.19 1.49 -0.73 0.00 0.00 179.01 179.74 2klb h GLU 133 N -0.44 0.37 0.01 1.92 4.81 -1.42 0.54 114.58 120.38 2klb h GLU 133 Ca -0.04 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2klb h GLU 133 Cb 0.34 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2klb h GLU 133 CO 0.06 0.25 -0.05 0.00 -0.73 0.00 0.00 179.01 178.53 2klb h ALA 134 N 1.11 -0.06 -0.59 2.92 0.00 -1.61 -1.69 119.26 119.34 2klb h ALA 134 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2klb h ALA 134 Cb -0.04 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2klb h ALA 134 CO -0.02 -0.55 0.21 0.78 0.00 0.00 0.00 179.25 179.66 2klb h GLY 135 N -0.10 0.94 0.86 0.00 0.00 -0.55 -0.57 103.07 103.65 2klb h GLY 135 Ca 0.02 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 2klb h GLY 135 CO -0.04 0.47 -0.33 -0.84 0.00 0.00 0.00 176.54 175.80 2klb h THR 136 N 0.86 0.22 -0.69 4.70 2.02 -0.67 -0.15 112.91 119.21 2klb h THR 136 Ca 0.20 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 2klb h THR 136 Cb 0.21 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 2klb h THR 136 CO -0.01 0.02 0.28 -0.78 0.37 0.00 0.00 175.52 175.40 2klb h ASP 137 N -1.08 0.94 -0.67 4.18 3.58 -1.29 -0.23 116.42 121.86 2klb h ASP 137 Ca -0.10 -0.17 0.01 0.00 0.42 0.00 0.00 57.03 57.20 2klb h ASP 137 Cb 0.74 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.51 2klb h ASP 137 CO 0.16 0.85 0.44 0.25 -2.88 0.00 0.00 179.24 178.06 2klb h LEU 138 N 0.98 0.74 -0.42 2.28 6.46 -1.14 0.29 115.31 124.50 2klb h LEU 138 Ca 0.23 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2klb h LEU 138 Cb 0.20 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 2klb h LEU 138 CO -0.02 0.53 0.28 1.23 -0.62 0.00 0.00 178.44 179.84 2klb h GLY 139 N 0.88 0.59 2.00 3.75 0.00 -0.47 -1.22 103.07 108.60 2klb h GLY 139 Ca 0.25 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 2klb h GLY 139 CO -0.07 0.22 -0.31 1.46 0.00 0.00 0.00 176.54 177.84 2klb h GLN 140 N 0.57 0.00 0.35 4.80 4.20 -0.60 -1.69 115.11 122.74 2klb h GLN 140 Ca 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 2klb h GLN 140 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2klb h GLN 140 CO -0.03 0.31 -0.17 2.35 -0.67 0.00 0.00 178.83 180.62 2klb h TRP 141 N 0.00 -0.44 -0.20 2.96 7.01 0.08 -3.27 115.95 122.10 2klb h TRP 141 Ca -0.00 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.95 2klb h TRP 141 Cb 0.57 0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.77 2klb h TRP 141 CO 0.00 -0.14 -0.00 0.28 -2.79 0.00 0.00 178.44 175.79 2klb h VAL 142 N -0.73 1.26 -0.78 2.65 2.07 -1.12 0.20 116.25 119.79 2klb h VAL 142 Ca -0.05 -0.87 0.17 0.00 0.82 0.00 0.00 66.70 66.77 2klb h VAL 142 Cb 0.50 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 2klb h VAL 142 CO 0.08 0.27 0.53 0.00 0.02 0.00 0.00 177.57 178.46 2klb h THR 143 N 0.10 0.74 0.00 2.57 1.03 -1.43 -0.54 112.91 115.38 2klb h THR 143 Ca 0.06 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.34 2klb h THR 143 Cb 0.40 0.37 0.00 0.00 -1.07 0.00 0.00 68.15 67.85 2klb h THR 143 CO 0.01 0.06 -1.88 0.54 -0.01 0.00 0.00 175.52 174.24 2klb n ARG 144 N -4.46 0.60 0.32 0.00 3.00 -1.21 -4.54 116.66 110.37 2klb n ARG 144 Ca 0.16 -0.17 -0.15 0.00 -0.01 0.00 0.00 57.85 57.67 2klb n ARG 144 Cb 0.62 -1.52 -0.08 0.00 0.00 0.00 0.00 32.46 31.48 2klb n ARG 144 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2klb h ASP 145 N 0.00 -1.02 0.01 0.55 3.58 0.74 0.43 116.42 120.72 2klb h ASP 145 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2klb h ASP 145 Cb 0.95 0.30 0.00 0.00 1.72 0.00 0.00 39.33 42.31 2klb h ASP 145 CO 0.00 -0.59 0.00 0.03 -2.88 0.00 0.00 179.24 175.80 2klb h ARG 146 N -0.93 0.00 0.01 0.28 3.08 -1.79 -2.71 114.38 112.32 2klb h ARG 146 Ca -0.08 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.73 2klb h ARG 146 Cb 0.75 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 2klb h ARG 146 CO 0.06 0.00 -1.31 -0.07 -1.07 0.00 0.00 179.97 177.58 2klb h LEU 147 N 0.00 0.03 0.00 3.04 -0.00 -1.70 -3.49 115.31 113.20 2klb h LEU 147 Ca 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 57.88 57.34 2klb h LEU 147 Cb 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2klb h LEU 147 CO 0.00 1.52 0.00 1.21 -0.00 0.00 0.00 178.44 181.17 2klb n GLU 148 N -4.36 0.00 -2.39 1.13 2.13 0.22 -5.09 120.64 112.27 2klb n GLU 148 Ca -0.32 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.45 2klb n GLU 148 Cb 0.71 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.45 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 -0.93 -0.71 -4.80 4.31 -0.00 0.13 -4.91 115.22 108.31 2klb n HIS 149 Ca 0.00 0.29 -0.33 0.00 -0.00 0.00 0.00 57.72 57.68 2klb n HIS 149 Cb 0.00 -2.98 -0.14 0.00 -0.00 0.00 0.00 29.99 26.87 2klb n HIS 149 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2klb s HIS 150 N -3.12 2.79 0.00 1.57 -3.43 -1.26 -4.95 115.29 106.89 2klb s HIS 150 Ca 0.02 -0.49 0.00 0.00 -0.80 0.00 0.00 55.06 53.79 2klb s HIS 150 Cb -0.00 -1.78 0.00 0.00 -1.43 0.00 0.00 32.58 29.36 2klb s HIS 150 CO 0.23 -0.09 0.00 0.72 -2.00 0.00 0.00 174.74 173.60 2klb n HIS 151 N 3.17 0.00 -2.72 0.38 8.25 -1.26 -4.86 115.22 118.18 2klb n HIS 151 Ca -0.18 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.25 2klb n HIS 151 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 2klb n HIS 151 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2klb n HIS 152 N 0.00 -3.61 -1.15 4.41 1.44 -1.26 -4.90 115.22 110.14 2klb n HIS 152 Ca 0.00 1.96 0.00 0.00 -2.01 0.00 0.00 57.72 57.67 2klb n HIS 152 Cb 0.00 -3.45 0.00 0.00 0.12 0.00 0.00 29.99 26.66 2klb n HIS 152 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2klb n HIS 153 N 1.54 -2.97 -0.78 -1.40 -0.00 -1.26 -5.04 115.22 105.31 2klb n HIS 153 Ca -0.25 1.55 0.00 0.00 -0.00 0.00 0.00 57.72 59.02 2klb n HIS 153 Cb 0.41 -2.84 0.00 0.00 -0.00 0.00 0.00 29.99 27.56 2klb n HIS 153 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92