#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq s GLN 2 N 0.00 1.01 0.04 0.03 -0.21 -1.26 -2.30 119.66 116.97 2wwq s GLN 2 Ca 0.00 -1.10 -0.07 0.00 0.02 0.00 0.00 55.36 54.21 2wwq s GLN 2 Cb 0.00 0.35 -0.00 0.00 1.00 0.00 0.00 33.01 34.36 2wwq s GLN 2 CO 0.00 -0.35 0.14 0.14 -2.12 0.00 0.00 175.29 173.11 2wwq s VAL 3 N -3.93 0.12 -0.19 1.09 -7.23 -1.20 -2.21 120.40 106.86 2wwq s VAL 3 Ca 0.12 -0.99 -0.15 0.00 -1.81 0.00 0.00 61.98 59.16 2wwq s VAL 3 Cb 0.04 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 36.04 2wwq s VAL 3 CO -0.04 -0.55 0.34 -0.63 -0.31 0.00 0.00 175.10 173.91 2wwq s ILE 4 N -2.58 5.25 0.86 -0.62 1.01 -1.26 -3.63 121.20 120.23 2wwq s ILE 4 Ca -0.05 0.62 -0.12 0.00 0.00 0.00 0.00 60.65 61.09 2wwq s ILE 4 Cb -0.01 -3.68 0.10 0.00 0.01 0.00 0.00 42.46 38.89 2wwq s ILE 4 CO -0.04 0.31 1.13 0.18 0.00 0.00 0.00 174.94 176.52 2wwq n LEU 5 N 4.09 3.70 -0.00 2.97 4.77 -1.24 -4.10 117.00 127.19 2wwq n LEU 5 Ca -0.10 0.51 0.01 0.00 -0.03 0.00 0.00 56.01 56.40 2wwq n LEU 5 Cb 0.51 -1.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.12 2wwq n LEU 5 CO 0.40 -2.00 -0.07 0.18 -1.33 0.00 0.00 177.39 174.57 2wwq n LEU 6 N -3.51 0.07 -3.84 2.23 4.77 -0.31 -3.92 117.00 112.49 2wwq n LEU 6 Ca 0.13 -0.44 -0.12 0.00 -0.03 0.00 0.00 56.01 55.55 2wwq n LEU 6 Cb 0.51 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 2wwq n LEU 6 CO 0.49 0.02 -0.15 -1.81 -1.33 0.00 0.00 177.39 174.60 2wwq s ASP 7 N -1.29 -0.08 0.14 -1.43 -0.00 -0.98 -4.78 116.67 108.25 2wwq s ASP 7 Ca 0.01 0.06 -0.30 0.00 -0.00 0.00 0.00 52.55 52.31 2wwq s ASP 7 Cb 0.01 0.29 -0.07 0.00 -0.00 0.00 0.00 42.92 43.15 2wwq s ASP 7 CO 0.07 -0.25 1.09 -1.59 -0.00 0.00 0.00 175.17 174.50 2wwq s LYS 8 N -0.76 4.58 -0.09 8.23 -2.85 -1.26 -4.02 119.74 123.57 2wwq s LYS 8 Ca -0.08 1.68 -0.24 0.00 -1.00 0.00 0.00 55.97 56.32 2wwq s LYS 8 Cb -0.05 -3.31 0.06 0.00 -2.06 0.00 0.00 37.83 32.47 2wwq s LYS 8 CO 0.01 0.04 0.57 0.54 0.10 0.00 0.00 175.35 176.61 2wwq s VAL 9 N 0.03 0.01 0.00 1.79 0.11 -1.26 -4.89 120.40 116.20 2wwq s VAL 9 Ca 0.50 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 2wwq s VAL 9 Cb -0.28 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 2wwq s VAL 9 CO 0.33 -0.06 0.00 0.00 -3.33 0.00 0.00 175.10 172.04 2wwq n ALA 10 N 1.54 0.00 0.05 1.54 0.00 -1.26 -1.71 120.51 120.66 2wwq n ALA 10 Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.35 2wwq n ALA 10 Cb 0.56 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.20 2wwq n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wwq n ASN 11 N -3.40 3.17 -0.57 0.00 3.02 -1.26 -3.25 115.26 112.97 2wwq n ASN 11 Ca 0.00 -1.92 0.10 0.00 -0.03 0.00 0.00 54.58 52.73 2wwq n ASN 11 Cb 0.00 -0.25 0.03 0.00 -0.61 0.00 0.00 39.78 38.94 2wwq n ASN 11 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wwq n LEU 12 N 1.09 2.14 -4.77 3.41 7.99 -1.25 -5.00 117.00 120.60 2wwq n LEU 12 Ca 0.16 -0.85 -0.41 0.00 -0.01 0.00 0.00 56.01 54.91 2wwq n LEU 12 Cb 0.51 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.80 2wwq n LEU 12 CO 0.12 0.39 1.04 -0.83 -1.51 0.00 0.00 177.39 176.60 2wwq s GLY 13 N -2.02 2.98 0.00 -0.72 0.00 -0.70 -4.88 107.32 101.99 2wwq s GLY 13 Ca 0.19 1.38 0.00 0.00 0.00 0.00 0.00 44.72 46.29 2wwq s GLY 13 CO 0.41 2.04 0.00 1.44 0.00 0.00 0.00 173.10 176.99 2wwq n SER 14 N 0.63 0.00 0.00 1.64 7.64 -1.26 -4.76 113.62 117.50 2wwq n SER 14 Ca 0.01 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.89 2wwq n SER 14 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2wwq n SER 14 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2wwq n LEU 15 N 0.00 0.00 -2.72 -3.43 7.94 -1.26 -4.69 117.00 112.84 2wwq n LEU 15 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 2wwq n LEU 15 Cb 0.25 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.21 2wwq n LEU 15 CO 0.00 0.00 0.51 -0.83 -1.11 0.00 0.00 177.39 175.96 2wwq s GLY 16 N -0.83 -1.60 -0.17 -3.96 0.00 -1.25 -2.32 107.32 97.19 2wwq s GLY 16 Ca 0.00 1.35 -0.13 0.00 0.00 0.00 0.00 44.72 45.95 2wwq s GLY 16 CO 0.00 4.37 0.44 -0.35 0.00 0.00 0.00 173.10 177.56 2wwq s ASP 17 N 1.93 -0.51 -0.51 1.64 3.68 -1.26 -4.88 116.67 116.76 2wwq s ASP 17 Ca 0.15 0.92 -0.26 0.00 2.13 0.00 0.00 52.55 55.49 2wwq s ASP 17 Cb 0.04 0.87 0.03 0.00 -1.45 0.00 0.00 42.92 42.41 2wwq s ASP 17 CO -0.15 -0.18 1.03 -1.58 0.13 0.00 0.00 175.17 174.42 2wwq s GLN 18 N 0.82 3.52 0.26 4.34 0.74 -1.26 -3.66 119.66 124.42 2wwq s GLN 18 Ca -0.05 0.16 -0.03 0.00 0.05 0.00 0.00 55.36 55.50 2wwq s GLN 18 Cb -0.06 -3.97 -0.02 0.00 1.10 0.00 0.00 33.01 30.06 2wwq s GLN 18 CO -0.06 -1.41 0.31 0.14 -0.55 0.00 0.00 175.29 173.72 2wwq s VAL 19 N 4.19 0.00 0.86 1.34 -7.23 -1.24 -5.04 120.40 113.28 2wwq s VAL 19 Ca 0.39 -1.77 -0.12 0.00 -1.81 0.00 0.00 61.98 58.67 2wwq s VAL 19 Cb -0.09 -2.46 0.11 0.00 0.56 0.00 0.00 36.38 34.49 2wwq s VAL 19 CO 0.26 0.00 1.13 0.20 -0.31 0.00 0.00 175.10 176.38 2wwq s ASN 20 N -3.18 3.93 0.16 4.85 -0.87 -1.26 -3.23 114.94 115.34 2wwq s ASN 20 Ca 0.34 1.04 -0.16 0.00 -1.57 0.00 0.00 52.86 52.51 2wwq s ASN 20 Cb 0.03 -1.65 0.03 0.00 -0.02 0.00 0.00 41.25 39.63 2wwq s ASN 20 CO 0.16 -2.30 0.44 0.68 -2.57 0.00 0.00 177.10 173.51 2wwq s VAL 21 N -3.28 0.05 0.56 1.60 -7.23 -0.97 -4.85 120.40 106.28 2wwq s VAL 21 Ca 0.63 -0.79 0.05 0.00 -1.81 0.00 0.00 61.98 60.05 2wwq s VAL 21 Cb -0.14 -1.47 0.06 0.00 0.56 0.00 0.00 36.38 35.40 2wwq s VAL 21 CO 0.53 -0.22 0.78 -0.54 -0.31 0.00 0.00 175.10 175.34 2wwq s LYS 22 N -3.86 2.35 0.00 4.82 -0.14 -1.26 -3.52 119.74 118.13 2wwq s LYS 22 Ca 0.08 -1.22 0.23 0.00 -1.36 0.00 0.00 55.97 53.70 2wwq s LYS 22 Cb 0.01 -2.57 0.14 0.00 -1.68 0.00 0.00 37.83 33.73 2wwq s LYS 22 CO -0.06 -0.81 1.16 0.00 -0.76 0.00 0.00 175.35 174.88 2wwq n ALA 23 N -2.30 3.91 0.73 5.17 0.00 -1.26 -3.05 120.51 123.71 2wwq n ALA 23 Ca 0.12 -0.53 0.09 0.00 0.00 0.00 0.00 53.44 53.11 2wwq n ALA 23 Cb 0.60 -0.90 -0.11 0.00 0.00 0.00 0.00 19.45 19.04 2wwq n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wwq n GLY 24 N 1.45 -0.72 0.10 0.00 0.00 -1.26 -4.31 105.19 100.45 2wwq n GLY 24 Ca 0.07 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.69 2wwq n GLY 24 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wwq n TYR 25 N -1.52 0.90 -3.96 1.61 9.36 -1.23 -4.47 117.16 117.85 2wwq n TYR 25 Ca 0.02 0.27 -0.09 0.00 3.32 0.00 0.00 57.90 61.42 2wwq n TYR 25 Cb 0.31 -0.95 -0.11 0.00 -0.63 0.00 0.00 39.34 37.97 2wwq n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wwq s ALA 26 N -3.31 0.03 -1.70 2.98 0.00 -1.17 -3.52 121.76 115.07 2wwq s ALA 26 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2wwq s ALA 26 Cb 0.10 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.38 2wwq s ALA 26 CO 0.80 -0.20 0.00 0.54 0.00 0.00 0.00 175.76 176.90 2wwq n ARG 27 N 1.38 -1.54 0.00 0.00 1.74 -1.26 -4.52 116.66 112.45 2wwq n ARG 27 Ca -0.23 0.95 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 2wwq n ARG 27 Cb 0.56 -5.36 0.00 0.00 -1.02 0.00 0.00 32.46 26.63 2wwq n ARG 27 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wwq n ASN 28 N -1.24 0.00 0.16 0.55 4.13 0.63 -4.81 115.26 114.68 2wwq n ASN 28 Ca -0.18 -0.79 0.00 0.00 1.68 0.00 0.00 54.58 55.29 2wwq n ASN 28 Cb 0.59 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.83 2wwq n ASN 28 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 2wwq n PHE 29 N 0.00 -3.45 0.29 3.10 7.35 -1.26 -4.61 117.46 118.88 2wwq n PHE 29 Ca 0.00 0.95 0.17 0.00 -0.76 0.00 0.00 57.45 57.81 2wwq n PHE 29 Cb 0.20 2.30 0.86 0.00 0.35 0.00 0.00 39.48 43.20 2wwq n PHE 29 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2wwq h LEU 30 N 0.00 0.00 -7.66 -2.13 3.38 -1.90 -2.75 115.31 104.25 2wwq h LEU 30 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2wwq h LEU 30 Cb 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.38 2wwq h LEU 30 CO 0.00 0.04 -0.80 -0.69 0.09 0.00 0.00 178.44 177.09 2wwq s VAL 31 N -3.99 0.97 -2.31 1.22 1.01 -1.26 -0.36 120.40 115.68 2wwq s VAL 31 Ca -0.02 -0.30 0.21 0.00 0.00 0.00 0.00 61.98 61.86 2wwq s VAL 31 Cb 0.12 -1.03 0.44 0.00 0.00 0.00 0.00 36.38 35.90 2wwq s VAL 31 CO 0.52 0.32 1.46 -0.81 0.00 0.00 0.00 175.10 176.59 2wwq n PRO 32 N 4.95 2.04 -0.08 2.72 -0.04 -1.22 -0.27 135.00 143.10 2wwq n PRO 32 Ca -0.12 -1.58 0.09 0.00 -0.04 0.00 0.00 63.50 61.85 2wwq n PRO 32 Cb 0.50 -1.43 0.34 0.00 -0.04 0.00 0.00 33.50 32.87 2wwq n PRO 32 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2wwq n GLN 33 N 0.80 1.62 -3.75 0.54 1.13 -1.04 -4.93 117.38 111.76 2wwq n GLN 33 Ca 0.17 -0.94 -0.29 0.00 -1.94 0.00 0.00 57.00 54.00 2wwq n GLN 33 Cb 0.43 -1.34 0.02 0.00 0.11 0.00 0.00 30.24 29.45 2wwq n GLN 33 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wwq n GLY 34 N 1.05 -1.12 0.00 1.08 0.00 -0.61 -4.91 105.19 100.68 2wwq n GLY 34 Ca 0.14 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.65 2wwq n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wwq n LYS 35 N -3.49 -0.62 -3.75 1.61 5.02 0.51 -4.99 118.16 112.45 2wwq n LYS 35 Ca -0.18 -0.37 -0.02 0.00 -2.02 0.00 0.00 58.31 55.72 2wwq n LYS 35 Cb 0.61 -0.87 -0.01 0.00 -0.02 0.00 0.00 35.03 34.75 2wwq n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wwq s ALA 36 N -0.02 -1.76 -0.03 7.82 0.00 -1.19 -1.16 121.76 125.42 2wwq s ALA 36 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.13 2wwq s ALA 36 Cb 0.00 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.75 2wwq s ALA 36 CO 0.00 -1.05 -0.01 0.08 0.00 0.00 0.00 175.76 174.77 2wwq s VAL 37 N -2.99 0.26 0.52 0.00 1.01 -1.26 -4.71 120.40 113.23 2wwq s VAL 37 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.94 2wwq s VAL 37 Cb -0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 36.38 35.92 2wwq s VAL 37 CO 0.02 0.15 0.08 -0.81 0.00 0.00 0.00 175.10 174.53 2wwq n PRO 38 N 3.91 0.15 -4.63 2.72 -0.04 -1.26 -4.13 135.00 131.72 2wwq n PRO 38 Ca -0.24 0.06 -0.23 0.00 -0.04 0.00 0.00 63.50 63.05 2wwq n PRO 38 Cb 0.52 -1.21 -0.16 0.00 -0.04 0.00 0.00 33.50 32.61 2wwq n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wwq s ALA 39 N -1.91 1.20 0.00 0.55 0.00 -0.94 -4.76 121.76 115.90 2wwq s ALA 39 Ca 0.61 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2wwq s ALA 39 Cb -0.49 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2wwq s ALA 39 CO 0.62 0.24 0.00 0.25 0.00 0.00 0.00 175.76 176.87 2wwq n THR 40 N 3.07 0.00 0.34 0.00 -2.24 -1.26 -4.15 114.28 110.04 2wwq n THR 40 Ca -0.17 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.68 2wwq n THR 40 Cb 0.54 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.67 2wwq n THR 40 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2wwq n LYS 41 N 0.00 1.38 -0.04 -0.78 2.85 -1.26 -4.39 118.16 115.92 2wwq n LYS 41 Ca 0.00 -0.07 -0.03 0.00 -1.05 0.00 0.00 58.31 57.16 2wwq n LYS 41 Cb 0.00 -1.26 -0.01 0.00 -0.65 0.00 0.00 35.03 33.11 2wwq n LYS 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2wwq n LYS 42 N -1.67 0.24 -0.38 -1.58 5.02 -1.26 -4.46 118.16 114.07 2wwq n LYS 42 Ca 0.00 0.31 0.34 0.00 -2.02 0.00 0.00 58.31 56.93 2wwq n LYS 42 Cb 0.30 -1.15 0.68 0.00 -0.02 0.00 0.00 35.03 34.83 2wwq n LYS 42 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2wwq h ASN 43 N -0.51 0.16 0.00 4.39 2.35 -1.87 -3.09 115.58 117.01 2wwq h ASN 43 Ca 0.00 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2wwq h ASN 43 Cb 0.34 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2wwq h ASN 43 CO 0.00 -0.00 0.09 0.16 -1.65 0.00 0.00 177.43 176.03 2wwq h ILE 44 N 0.12 0.00 0.00 2.81 3.07 -1.78 0.40 117.51 122.13 2wwq h ILE 44 Ca 0.65 0.00 -0.24 0.00 1.55 0.00 0.00 64.86 66.82 2wwq h ILE 44 Cb 2.26 0.74 -0.04 0.00 -0.27 0.00 0.00 36.82 39.50 2wwq h ILE 44 CO -0.15 0.00 -1.87 -0.62 -1.05 0.00 0.00 178.15 174.46 2wwq n GLU 45 N -2.74 0.36 0.21 0.16 1.02 -1.17 -3.90 120.64 114.58 2wwq n GLU 45 Ca -0.02 0.11 -0.13 0.00 -0.02 0.00 0.00 57.16 57.10 2wwq n GLU 45 Cb 0.15 -1.19 -0.07 0.00 -0.02 0.00 0.00 31.44 30.30 2wwq n GLU 45 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 2wwq h PHE 46 N -0.26 -1.01 0.41 -0.32 0.04 -1.54 -3.38 116.94 110.88 2wwq h PHE 46 Ca -0.37 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.40 2wwq h PHE 46 Cb 1.44 0.39 -0.02 0.00 2.20 0.00 0.00 35.95 39.96 2wwq h PHE 46 CO -0.01 -0.49 -0.38 0.35 -0.60 0.00 0.00 178.31 177.18 2wwq h PHE 47 N -0.73 -1.04 -1.02 -0.55 3.57 -1.16 -3.19 116.94 112.83 2wwq h PHE 47 Ca -0.05 0.00 0.33 0.00 3.53 0.00 0.00 57.97 61.79 2wwq h PHE 47 Cb 0.63 0.40 -0.15 0.00 2.79 0.00 0.00 35.95 39.62 2wwq h PHE 47 CO -0.20 -0.54 0.58 1.49 -2.23 0.00 0.00 178.31 177.41 2wwq h GLU 48 N -0.81 0.29 -0.21 1.11 4.57 -1.74 -1.62 114.58 116.16 2wwq h GLU 48 Ca -0.04 -0.02 -0.21 0.00 -1.18 0.00 0.00 59.36 57.92 2wwq h GLU 48 Cb 0.72 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.25 2wwq h GLU 48 CO -0.05 0.19 -0.68 0.00 -1.18 0.00 0.00 179.01 177.29 2wwq h ALA 49 N 1.85 0.37 -0.58 2.92 0.00 -1.72 -1.92 119.26 120.17 2wwq h ALA 49 Ca 0.74 -0.56 0.17 0.00 0.00 0.00 0.00 54.91 55.26 2wwq h ALA 49 Cb 1.75 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2wwq h ALA 49 CO -0.60 0.68 0.45 0.00 0.00 0.00 0.00 179.25 179.78 2wwq h ARG 50 N 0.60 0.00 0.00 0.00 3.08 -1.56 -2.89 114.38 113.61 2wwq h ARG 50 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2wwq h ARG 50 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2wwq h ARG 50 CO 0.15 0.00 -1.57 -2.13 -1.07 0.00 0.00 179.97 175.34 2wwq n ARG 51 N -4.19 0.59 0.00 0.04 0.63 -0.64 -1.62 116.66 111.47 2wwq n ARG 51 Ca 0.11 -0.08 0.12 0.00 -0.92 0.00 0.00 57.85 57.08 2wwq n ARG 51 Cb 0.69 -1.62 0.70 0.00 0.45 0.00 0.00 32.46 32.67 2wwq n ARG 51 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wwq n ALA 52 N -2.17 2.57 0.00 5.13 0.00 -0.90 -1.59 120.51 123.54 2wwq n ALA 52 Ca -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 2wwq n ALA 52 Cb 0.54 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 2wwq n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wwq n GLU 53 N -0.89 0.10 0.07 0.00 1.02 -1.09 -4.81 120.64 115.03 2wwq n GLU 53 Ca 0.18 0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.23 2wwq n GLU 53 Cb 0.08 -0.52 -0.08 0.00 -0.02 0.00 0.00 31.44 30.90 2wwq n GLU 53 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2wwq h LEU 54 N -0.19 -1.29 -3.05 -4.62 3.38 -1.29 -2.43 115.31 105.82 2wwq h LEU 54 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wwq h LEU 54 Cb 0.19 0.48 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2wwq h LEU 54 CO 0.00 -0.43 0.00 1.21 0.09 0.00 0.00 178.44 179.31 2wwq n GLU 55 N -4.85 0.57 0.00 1.13 4.07 -0.62 -0.93 120.64 120.01 2wwq n GLU 55 Ca -0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 2wwq n GLU 55 Cb 0.32 -1.21 0.00 0.00 -0.06 0.00 0.00 31.44 30.49 2wwq n GLU 55 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wwq n ALA 56 N 1.45 0.97 -0.29 4.31 0.00 -1.19 -4.90 120.51 120.86 2wwq n ALA 56 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2wwq n ALA 56 Cb 0.29 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.92 2wwq n ALA 56 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2wwq h LYS 57 N 0.00 0.69 -0.19 0.00 2.10 -1.38 -2.14 116.57 115.65 2wwq h LYS 57 Ca 0.00 -0.04 -0.14 0.00 -2.00 0.00 0.00 60.65 58.47 2wwq h LYS 57 Cb 0.00 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 31.16 2wwq h LYS 57 CO 0.00 0.46 -0.47 1.25 -2.00 0.00 0.00 179.45 178.68 2wwq h LEU 58 N 0.71 0.54 -0.79 7.07 5.85 -1.21 -3.42 115.31 124.05 2wwq h LEU 58 Ca 0.42 -0.26 0.18 0.00 0.84 0.00 0.00 57.88 59.06 2wwq h LEU 58 Cb 0.47 -0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.24 2wwq h LEU 58 CO -0.29 0.93 0.25 0.00 -0.34 0.00 0.00 178.44 178.98 2wwq h ALA 59 N 1.09 1.10 0.00 1.25 0.00 -1.43 -0.41 119.26 120.86 2wwq h ALA 59 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wwq h ALA 59 Cb 0.98 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wwq h ALA 59 CO 0.09 -0.33 -1.43 -0.85 0.00 0.00 0.00 179.25 176.72 2wwq n GLU 60 N -5.12 0.88 0.30 0.00 0.28 -1.26 -3.46 120.64 112.26 2wwq n GLU 60 Ca 0.17 -0.10 0.19 0.00 -0.16 0.00 0.00 57.16 57.25 2wwq n GLU 60 Cb 0.52 -1.36 0.90 0.00 1.43 0.00 0.00 31.44 32.93 2wwq n GLU 60 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2wwq h VAL 61 N 0.00 0.10 0.00 3.84 2.07 -1.38 -2.82 116.25 118.06 2wwq h VAL 61 Ca 0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2wwq h VAL 61 Cb 0.64 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2wwq h VAL 61 CO 0.00 0.02 -1.39 -0.11 0.02 0.00 0.00 177.57 176.11 2wwq n LEU 62 N -3.18 0.49 0.09 2.57 7.94 -0.38 -4.49 117.00 120.04 2wwq n LEU 62 Ca -0.01 0.15 0.20 0.00 -1.11 0.00 0.00 56.01 55.23 2wwq n LEU 62 Cb 0.20 -0.04 0.75 0.00 0.53 0.00 0.00 43.42 44.86 2wwq n LEU 62 CO 0.25 -0.08 1.17 0.00 -1.11 0.00 0.00 177.39 177.62 2wwq h ALA 63 N 2.08 2.17 -0.67 1.96 0.00 -1.53 -2.93 119.26 120.34 2wwq h ALA 63 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.00 2wwq h ALA 63 Cb 0.96 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.66 2wwq h ALA 63 CO 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 179.25 178.25 2wwq h ALA 64 N 1.65 -0.24 -0.43 0.00 0.00 -1.76 -3.24 119.26 115.24 2wwq h ALA 64 Ca 0.19 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.33 2wwq h ALA 64 Cb 0.91 0.98 -0.09 0.00 0.00 0.00 0.00 17.79 19.59 2wwq h ALA 64 CO -0.00 -0.79 -0.24 0.00 0.00 0.00 0.00 179.25 178.22 2wwq h ALA 65 N 0.76 0.04 0.00 0.00 0.00 -1.78 -3.23 119.26 115.06 2wwq h ALA 65 Ca 0.21 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 2wwq h ALA 65 Cb 0.56 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2wwq h ALA 65 CO -0.75 -0.60 -0.32 -0.91 0.00 0.00 0.00 179.25 176.66 2wwq h ASN 66 N -0.16 0.00 0.00 0.00 2.35 -1.77 -2.57 115.58 113.43 2wwq h ASN 66 Ca 0.20 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 2wwq h ASN 66 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 2wwq h ASN 66 CO -0.52 0.32 -0.46 0.00 -1.65 0.00 0.00 177.43 175.13 2wwq h ALA 67 N 1.68 0.06 0.00 -0.83 0.00 -1.58 -3.32 119.26 115.26 2wwq h ALA 67 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2wwq h ALA 67 Cb 0.60 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2wwq h ALA 67 CO 0.04 0.33 0.17 0.07 0.00 0.00 0.00 179.25 179.86 2wwq h ARG 68 N -1.00 0.00 0.48 0.00 -0.00 -1.63 -2.99 114.38 109.24 2wwq h ARG 68 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.89 2wwq h ARG 68 Cb 0.65 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.59 2wwq h ARG 68 CO -0.05 0.00 -0.48 0.00 -0.00 0.00 0.00 179.97 179.44 2wwq h ALA 69 N 1.64 -1.07 -0.69 0.08 0.00 -1.56 -2.54 119.26 115.12 2wwq h ALA 69 Ca 0.00 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.90 2wwq h ALA 69 Cb 0.34 0.69 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 2wwq h ALA 69 CO 0.00 -1.14 -0.06 -1.91 0.00 0.00 0.00 179.25 176.14 2wwq n GLU 70 N -5.55 -0.06 0.00 0.00 2.13 -1.13 -2.86 120.64 113.17 2wwq n GLU 70 Ca -0.12 1.06 0.05 0.00 0.66 0.00 0.00 57.16 58.81 2wwq n GLU 70 Cb 0.45 -1.64 0.21 0.00 0.27 0.00 0.00 31.44 30.73 2wwq n GLU 70 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2wwq n LYS 71 N -5.02 0.04 0.00 5.31 5.02 -0.96 -2.63 118.16 119.93 2wwq n LYS 71 Ca 0.14 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 2wwq n LYS 71 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 2wwq n LYS 71 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2wwq n ILE 72 N -1.43 0.00 0.06 -0.18 -5.35 -1.14 -2.72 119.36 108.61 2wwq n ILE 72 Ca 0.03 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.37 2wwq n ILE 72 Cb 0.10 -0.18 -0.14 0.00 -1.74 0.00 0.00 39.64 37.69 2wwq n ILE 72 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2wwq h ASN 73 N 0.00 0.27 0.14 7.28 4.21 -1.60 -3.24 115.58 122.64 2wwq h ASN 73 Ca 0.00 -0.35 -0.28 0.00 1.21 0.00 0.00 56.30 56.89 2wwq h ASN 73 Cb 0.37 -0.09 0.01 0.00 -1.12 0.00 0.00 38.32 37.49 2wwq h ASN 73 CO 0.00 1.28 -1.37 0.00 -1.29 0.00 0.00 177.43 176.05 2wwq h ALA 74 N 0.67 0.11 -1.50 -0.83 0.00 -1.78 -3.50 119.26 112.43 2wwq h ALA 74 Ca -0.17 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.72 2wwq h ALA 74 Cb 1.95 0.40 0.00 0.00 0.00 0.00 0.00 17.79 20.14 2wwq h ALA 74 CO 0.16 0.77 0.00 -0.11 0.00 0.00 0.00 179.25 180.07 2wwq n LEU 75 N -3.89 -1.46 0.00 0.00 7.94 -1.22 -5.08 117.00 113.28 2wwq n LEU 75 Ca -0.23 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.67 2wwq n LEU 75 Cb 0.93 -0.73 0.00 0.00 0.53 0.00 0.00 43.42 44.15 2wwq n LEU 75 CO 0.45 0.00 -0.49 1.21 -1.11 0.00 0.00 177.39 177.45 2wwq n GLU 76 N 0.78 0.00 -3.81 1.96 2.13 -1.10 -4.98 120.64 115.62 2wwq n GLU 76 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2wwq n GLU 76 Cb 0.00 -0.75 0.02 0.00 0.27 0.00 0.00 31.44 30.98 2wwq n GLU 76 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2wwq s THR 77 N -1.99 0.00 -0.36 6.31 -4.23 -1.26 -5.05 115.64 109.07 2wwq s THR 77 Ca 0.00 -1.01 -0.06 0.00 -1.18 0.00 0.00 61.69 59.44 2wwq s THR 77 Cb 0.00 -2.91 0.05 0.00 1.34 0.00 0.00 72.50 70.98 2wwq s THR 77 CO 0.00 0.00 0.14 -0.69 -0.54 0.00 0.00 174.62 173.53 2wwq s VAL 78 N -2.26 3.77 -0.09 2.29 1.01 -1.26 -4.60 120.40 119.27 2wwq s VAL 78 Ca 0.16 -1.29 0.03 0.00 0.00 0.00 0.00 61.98 60.88 2wwq s VAL 78 Cb -0.05 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.12 2wwq s VAL 78 CO 0.12 -0.29 -0.18 -0.89 0.00 0.00 0.00 175.10 173.85 2wwq s THR 79 N 1.37 1.66 0.00 3.92 2.01 -1.26 -5.03 115.64 118.31 2wwq s THR 79 Ca -0.00 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.23 2wwq s THR 79 Cb -0.21 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 70.84 2wwq s THR 79 CO 0.02 0.47 0.00 2.30 -0.69 0.00 0.00 174.62 176.72 2wwq n ILE 80 N 3.77 0.00 -3.83 1.82 -5.35 -1.26 -4.78 119.36 109.73 2wwq n ILE 80 Ca -0.20 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.25 2wwq n ILE 80 Cb 0.52 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.43 2wwq n ILE 80 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wwq s ALA 81 N -2.00 -1.66 0.00 -1.28 0.00 -1.26 -4.92 121.76 110.64 2wwq s ALA 81 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2wwq s ALA 81 Cb 0.00 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2wwq s ALA 81 CO 0.00 -1.06 0.00 0.43 0.00 0.00 0.00 175.76 175.13 2wwq n SER 82 N -0.96 0.00 -1.73 0.00 7.64 -1.26 -4.93 113.62 112.37 2wwq n SER 82 Ca -0.04 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.72 2wwq n SER 82 Cb 0.60 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.95 2wwq n SER 82 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2wwq n LYS 83 N 0.00 2.22 -4.10 1.43 2.85 -1.26 -4.64 118.16 114.66 2wwq n LYS 83 Ca 0.00 -2.02 -0.33 0.00 -1.05 0.00 0.00 58.31 54.91 2wwq n LYS 83 Cb 0.00 -1.83 -0.16 0.00 -0.65 0.00 0.00 35.03 32.39 2wwq n LYS 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wwq s ALA 84 N -2.18 2.42 0.00 0.58 0.00 -1.26 -4.34 121.76 116.98 2wwq s ALA 84 Ca 0.37 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2wwq s ALA 84 Cb 0.31 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 22.10 2wwq s ALA 84 CO 0.08 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.61 2wwq n GLY 85 N 4.56 1.61 0.13 0.00 0.00 -1.04 -4.64 105.19 105.80 2wwq n GLY 85 Ca -0.19 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 2wwq n GLY 85 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wwq h ASP 86 N 0.00 0.32 -0.55 1.61 3.32 -1.75 -2.82 116.42 116.56 2wwq h ASP 86 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2wwq h ASP 86 Cb 0.12 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2wwq h ASP 86 CO 0.00 0.64 0.00 -1.84 -1.72 0.00 0.00 179.24 176.32 2wwq n GLU 87 N -4.66 2.61 0.00 3.56 0.28 -1.26 -4.52 120.64 116.66 2wwq n GLU 87 Ca -0.05 -2.40 0.00 0.00 -0.16 0.00 0.00 57.16 54.54 2wwq n GLU 87 Cb 0.28 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.66 2wwq n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wwq n GLY 88 N 1.38 0.62 3.19 -1.84 0.00 -1.06 -4.62 105.19 102.86 2wwq n GLY 88 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2wwq n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwq s LYS 89 N -0.63 2.64 0.27 1.61 -0.14 -1.26 -4.39 119.74 117.85 2wwq s LYS 89 Ca 0.00 -0.79 -0.03 0.00 -1.36 0.00 0.00 55.97 53.79 2wwq s LYS 89 Cb 0.00 -2.07 -0.05 0.00 -1.68 0.00 0.00 37.83 34.03 2wwq s LYS 89 CO 0.00 0.20 0.51 -0.51 -0.76 0.00 0.00 175.35 174.78 2wwq s LEU 90 N 0.27 4.10 0.00 3.17 1.02 -1.17 -2.49 118.68 123.57 2wwq s LEU 90 Ca -0.14 0.57 0.00 0.00 0.02 0.00 0.00 54.13 54.58 2wwq s LEU 90 Cb -0.16 -3.39 0.00 0.00 0.02 0.00 0.00 46.19 42.66 2wwq s LEU 90 CO 0.07 -0.17 0.00 2.22 0.02 0.00 0.00 176.35 178.49 2wwq n PHE 91 N -1.01 0.00 0.00 0.29 1.16 -1.26 -3.70 117.46 112.94 2wwq n PHE 91 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.55 2wwq n PHE 91 Cb 0.54 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.41 2wwq n PHE 91 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2wwq n GLY 92 N 0.00 -0.93 1.49 4.97 0.00 -1.25 -4.00 105.19 105.47 2wwq n GLY 92 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.00 2wwq n GLY 92 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wwq n SER 93 N 0.00 0.60 -4.70 1.61 7.64 -1.26 -4.80 113.62 112.71 2wwq n SER 93 Ca 0.00 -2.00 -0.23 0.00 1.01 0.00 0.00 58.87 57.64 2wwq n SER 93 Cb 0.00 -0.18 -0.07 0.00 -1.01 0.00 0.00 64.21 62.95 2wwq n SER 93 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2wwq s ILE 94 N -0.20 3.03 0.00 0.44 -4.36 -1.26 -4.97 121.20 113.89 2wwq s ILE 94 Ca 0.27 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 2wwq s ILE 94 Cb 0.31 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 41.10 2wwq s ILE 94 CO -0.13 -0.22 0.00 0.61 0.24 0.00 0.00 174.94 175.44 2wwq n GLY 95 N -1.07 1.83 0.33 6.27 0.00 -1.26 -4.36 105.19 106.94 2wwq n GLY 95 Ca -0.04 0.09 0.22 0.00 0.00 0.00 0.00 46.02 46.30 2wwq n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wwq h THR 96 N 0.00 0.04 -0.72 2.61 1.35 -1.88 -2.36 112.91 111.95 2wwq h THR 96 Ca 0.00 -0.01 0.21 0.00 -0.55 0.00 0.00 66.41 66.06 2wwq h THR 96 Cb 0.00 0.01 -0.03 0.00 -1.73 0.00 0.00 68.15 66.40 2wwq h THR 96 CO 0.00 0.01 0.85 0.03 -0.25 0.00 0.00 175.52 176.16 2wwq h ARG 97 N 0.03 0.00 0.00 4.72 -0.00 -1.83 0.25 114.38 117.56 2wwq h ARG 97 Ca 0.71 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.19 2wwq h ARG 97 Cb 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.66 2wwq h ARG 97 CO -0.83 0.00 -0.12 -0.40 0.00 0.00 0.00 179.97 178.62 2wwq n ASP 98 N -3.42 0.00 -0.00 7.04 5.75 -0.91 -4.62 116.55 120.39 2wwq n ASP 98 Ca 0.15 -1.24 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 2wwq n ASP 98 Cb 1.09 -0.05 -0.01 0.00 -1.03 0.00 0.00 41.12 41.13 2wwq n ASP 98 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 2wwq n ILE 99 N 0.00 0.00 -3.51 2.12 -5.35 -1.03 -5.04 119.36 106.54 2wwq n ILE 99 Ca 0.00 -0.15 -0.21 0.00 -0.27 0.00 0.00 62.75 62.12 2wwq n ILE 99 Cb 0.55 0.63 0.05 0.00 -1.74 0.00 0.00 39.64 39.13 2wwq n ILE 99 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wwq n ALA 100 N -1.39 -2.32 -3.75 -1.28 0.00 0.05 -4.97 120.51 106.85 2wwq n ALA 100 Ca -0.00 -0.07 -0.33 0.00 0.00 0.00 0.00 53.44 53.04 2wwq n ALA 100 Cb 0.02 -3.87 -0.16 0.00 0.00 0.00 0.00 19.45 15.43 2wwq n ALA 100 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wwq s ASP 101 N -3.80 3.27 0.50 0.00 -1.08 -1.26 -4.73 116.67 109.56 2wwq s ASP 101 Ca 0.28 -0.58 0.07 0.00 -0.52 0.00 0.00 52.55 51.80 2wwq s ASP 101 Cb -0.06 -1.49 0.02 0.00 -1.46 0.00 0.00 42.92 39.92 2wwq s ASP 101 CO 0.79 0.05 0.43 0.00 0.52 0.00 0.00 175.17 176.97 2wwq s ALA 102 N 0.98 4.29 0.36 3.66 0.00 -1.26 -4.85 121.76 124.94 2wwq s ALA 102 Ca -0.03 -1.64 0.04 0.00 0.00 0.00 0.00 51.96 50.33 2wwq s ALA 102 Cb -0.15 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 2wwq s ALA 102 CO -0.05 -0.41 0.14 0.14 0.00 0.00 0.00 175.76 175.58 2wwq s VAL 103 N -2.64 0.56 0.23 0.00 -7.23 -1.26 -5.02 120.40 105.03 2wwq s VAL 103 Ca 0.43 -2.00 0.20 0.00 -1.81 0.00 0.00 61.98 58.80 2wwq s VAL 103 Cb -0.03 -2.46 0.17 0.00 0.56 0.00 0.00 36.38 34.62 2wwq s VAL 103 CO 0.26 0.00 1.81 0.71 -0.31 0.00 0.00 175.10 177.57 2wwq h THR 104 N 1.98 0.84 -0.19 5.32 1.35 -2.01 -2.68 112.91 117.51 2wwq h THR 104 Ca -0.35 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 2wwq h THR 104 Cb 1.26 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 2wwq h THR 104 CO 0.56 0.31 0.00 0.00 -0.25 0.00 0.00 175.52 176.14 2wwq n ALA 105 N -2.30 2.47 -0.09 6.62 0.00 -1.26 -3.80 120.51 122.15 2wwq n ALA 105 Ca -0.01 -0.74 -0.10 0.00 0.00 0.00 0.00 53.44 52.59 2wwq n ALA 105 Cb 0.44 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 2wwq n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwq h ALA 106 N 4.48 0.37 0.00 0.00 0.00 -1.74 -3.44 119.26 118.94 2wwq h ALA 106 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wwq h ALA 106 Cb 0.84 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2wwq h ALA 106 CO 0.00 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.57 2wwq n GLY 107 N -0.93 0.50 3.09 0.00 0.00 -1.25 -4.91 105.19 101.69 2wwq n GLY 107 Ca -0.02 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.14 2wwq n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwq s VAL 108 N -2.00 0.21 -0.19 1.61 0.11 -1.26 -5.08 120.40 113.80 2wwq s VAL 108 Ca 0.00 -1.70 -0.22 0.00 -2.93 0.00 0.00 61.98 57.13 2wwq s VAL 108 Cb 0.00 -1.42 -0.19 0.00 -1.53 0.00 0.00 36.38 33.24 2wwq s VAL 108 CO 0.00 -0.94 0.28 -0.08 -3.33 0.00 0.00 175.10 171.03 2wwq h GLU 109 N 3.23 0.00 -5.33 1.54 4.81 -1.96 -3.46 114.58 113.41 2wwq h GLU 109 Ca -0.34 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.27 2wwq h GLU 109 Cb 1.15 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.37 2wwq h GLU 109 CO 0.63 0.93 -0.56 0.08 -0.73 0.00 0.00 179.01 179.36 2wwq s VAL 110 N -2.32 4.77 -0.33 0.32 1.01 -1.26 -4.82 120.40 117.77 2wwq s VAL 110 Ca -0.26 -0.04 0.12 0.00 0.00 0.00 0.00 61.98 61.80 2wwq s VAL 110 Cb 0.04 -3.14 -0.15 0.00 0.00 0.00 0.00 36.38 33.13 2wwq s VAL 110 CO 0.58 0.48 0.40 0.00 0.00 0.00 0.00 175.10 176.56 2wwq n ALA 111 N 3.40 3.08 -1.66 5.51 0.00 -1.26 -4.90 120.51 124.68 2wwq n ALA 111 Ca -0.17 -0.32 -0.40 0.00 0.00 0.00 0.00 53.44 52.56 2wwq n ALA 111 Cb 0.52 -0.42 0.03 0.00 0.00 0.00 0.00 19.45 19.58 2wwq n ALA 111 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wwq n LYS 112 N -1.55 1.42 -4.02 0.00 4.81 -1.26 -4.42 118.16 113.15 2wwq n LYS 112 Ca 0.00 0.52 -0.10 0.00 -0.87 0.00 0.00 58.31 57.86 2wwq n LYS 112 Cb 0.24 -2.26 -0.05 0.00 0.02 0.00 0.00 35.03 32.98 2wwq n LYS 112 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2wwq s SER 113 N -0.86 0.05 0.15 3.14 0.01 -1.26 -4.98 113.70 109.95 2wwq s SER 113 Ca 0.68 -1.05 -0.31 0.00 1.31 0.00 0.00 55.95 56.58 2wwq s SER 113 Cb -0.48 0.58 -0.09 0.00 0.21 0.00 0.00 66.02 66.25 2wwq s SER 113 CO 0.53 -1.15 1.43 -1.61 0.41 0.00 0.00 173.24 172.85 2wwq s GLU 114 N -3.87 4.30 0.05 12.44 0.41 -1.26 -4.66 118.70 126.11 2wwq s GLU 114 Ca 0.25 2.16 -0.31 0.00 -0.41 0.00 0.00 54.97 56.66 2wwq s GLU 114 Cb -0.00 -3.21 -0.06 0.00 -1.78 0.00 0.00 34.13 29.08 2wwq s GLU 114 CO 0.11 -0.46 1.28 0.54 -0.49 0.00 0.00 175.26 176.24 2wwq s VAL 115 N 0.92 3.80 0.00 2.63 0.11 -1.26 -4.84 120.40 121.76 2wwq s VAL 115 Ca 0.65 1.27 0.00 0.00 -2.93 0.00 0.00 61.98 60.96 2wwq s VAL 115 Cb -0.39 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 30.65 2wwq s VAL 115 CO 0.32 0.07 0.51 -2.11 -3.33 0.00 0.00 175.10 170.57 2wwq n ARG 116 N 4.29 0.00 -4.21 1.54 1.85 -1.26 -5.10 116.66 113.77 2wwq n ARG 116 Ca 0.10 -0.37 -0.13 0.00 -1.00 0.00 0.00 57.85 56.45 2wwq n ARG 116 Cb 0.45 -0.24 -0.10 0.00 -1.05 0.00 0.00 32.46 31.52 2wwq n ARG 116 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2wwq s LEU 117 N 0.00 1.23 0.52 2.89 1.43 -1.26 -5.06 118.68 118.42 2wwq s LEU 117 Ca 0.00 -1.44 0.23 0.00 -1.03 0.00 0.00 54.13 51.89 2wwq s LEU 117 Cb 0.00 0.41 1.39 0.00 0.03 0.00 0.00 46.19 48.02 2wwq s LEU 117 CO 0.00 -0.87 2.10 -0.65 0.23 0.00 0.00 176.35 177.16 2wwq h PRO 118 N 2.55 0.00 0.00 1.29 0.11 -2.00 -3.33 132.00 130.62 2wwq h PRO 118 Ca -0.34 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 2wwq h PRO 118 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2wwq h PRO 118 CO 0.51 0.10 -0.04 -1.71 -0.21 0.00 0.00 178.00 176.65 2wwq n ASN 119 N -3.98 -0.19 -0.14 -2.05 5.15 -1.26 -5.11 115.26 107.68 2wwq n ASN 119 Ca -0.02 -0.90 0.00 0.00 -0.60 0.00 0.00 54.58 53.06 2wwq n ASN 119 Cb 0.19 0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.52 2wwq n ASN 119 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wwq n GLY 120 N -0.15 -1.68 0.00 8.20 0.00 -1.25 -4.88 105.19 105.43 2wwq n GLY 120 Ca -0.03 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2wwq n GLY 120 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wwq n VAL 121 N -0.28 0.00 -2.68 1.61 0.24 -1.26 -4.87 118.33 111.09 2wwq n VAL 121 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 2wwq n VAL 121 Cb 0.00 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.39 2wwq n VAL 121 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2wwq n LEU 122 N 0.00 -2.17 0.00 1.34 4.77 -1.26 -3.98 117.00 115.70 2wwq n LEU 122 Ca 0.00 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2wwq n LEU 122 Cb 0.00 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 39.66 2wwq n LEU 122 CO 0.00 0.15 0.00 -2.11 -1.33 0.00 0.00 177.39 174.10 2wwq n ARG 123 N -2.05 0.00 -4.83 3.23 1.85 -1.26 -3.84 116.66 109.76 2wwq n ARG 123 Ca -0.03 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.57 2wwq n ARG 123 Cb 0.54 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.79 2wwq n ARG 123 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 2wwq s THR 124 N 0.00 1.40 0.55 8.89 -1.32 -1.25 -4.54 115.64 119.37 2wwq s THR 124 Ca 0.00 -0.72 -0.20 0.00 -1.21 0.00 0.00 61.69 59.56 2wwq s THR 124 Cb 0.00 -1.19 -0.07 0.00 -1.51 0.00 0.00 72.50 69.73 2wwq s THR 124 CO 0.00 0.40 0.96 0.41 -2.21 0.00 0.00 174.62 174.19 2wwq n THR 125 N 2.97 3.24 -4.20 5.08 -1.04 -1.24 -3.83 114.28 115.26 2wwq n THR 125 Ca -0.17 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 2wwq n THR 125 Cb 0.53 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 2wwq n THR 125 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wwq n GLY 126 N 1.27 0.50 0.00 3.41 0.00 -1.26 -4.78 105.19 104.32 2wwq n GLY 126 Ca 0.12 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2wwq n GLY 126 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2wwq n GLU 127 N 7.84 -0.20 -4.06 1.61 0.28 -1.26 -3.06 120.64 121.79 2wwq n GLU 127 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 2wwq n GLU 127 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 2wwq n GLU 127 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2wwq s HIS 128 N -0.59 0.49 -0.44 -1.84 -3.43 -1.26 -4.79 115.29 103.43 2wwq s HIS 128 Ca 0.00 -1.01 -0.12 0.00 -0.80 0.00 0.00 55.06 53.13 2wwq s HIS 128 Cb 0.00 -0.34 0.07 0.00 -1.43 0.00 0.00 32.58 30.88 2wwq s HIS 128 CO 0.00 -0.42 0.32 -2.00 -2.00 0.00 0.00 174.74 170.64 2wwq s GLU 129 N -3.92 2.78 -0.09 -0.38 2.12 -1.26 -4.80 118.70 113.14 2wwq s GLU 129 Ca 0.08 -1.39 -0.25 0.00 0.36 0.00 0.00 54.97 53.77 2wwq s GLU 129 Cb 0.07 -3.94 -0.03 0.00 0.26 0.00 0.00 34.13 30.50 2wwq s GLU 129 CO -0.09 -0.97 0.78 0.08 -0.54 0.00 0.00 175.26 174.51 2wwq s VAL 130 N 1.53 4.97 -0.09 3.70 1.01 -1.26 -4.81 120.40 125.44 2wwq s VAL 130 Ca 0.03 1.58 0.03 0.00 0.00 0.00 0.00 61.98 63.63 2wwq s VAL 130 Cb -0.23 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.04 2wwq s VAL 130 CO 0.04 0.16 -0.21 -0.44 0.00 0.00 0.00 175.10 174.66 2wwq s SER 131 N 0.96 2.75 -0.03 3.32 0.01 -1.26 -3.39 113.70 116.06 2wwq s SER 131 Ca 0.39 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2wwq s SER 131 Cb -0.18 -1.26 0.03 0.00 0.21 0.00 0.00 66.02 64.82 2wwq s SER 131 CO 0.17 0.12 -0.00 0.12 0.41 0.00 0.00 173.24 174.06 2wwq s PHE 132 N 0.48 0.34 0.25 2.43 5.36 -1.25 -4.98 117.98 120.60 2wwq s PHE 132 Ca -0.17 -0.01 -0.01 0.00 -0.96 0.00 0.00 56.93 55.78 2wwq s PHE 132 Cb -0.17 -0.42 -0.04 0.00 -0.34 0.00 0.00 43.02 42.04 2wwq s PHE 132 CO 0.07 -0.13 0.46 1.14 -1.46 0.00 0.00 175.22 175.29 2wwq s GLN 133 N 1.01 3.53 -0.02 10.12 -2.07 -1.26 -2.44 119.66 128.54 2wwq s GLN 133 Ca -0.10 -0.28 -0.05 0.00 -1.82 0.00 0.00 55.36 53.11 2wwq s GLN 133 Cb -0.14 -2.77 -0.02 0.00 -1.09 0.00 0.00 33.01 29.00 2wwq s GLN 133 CO -0.02 0.31 -0.09 0.28 -1.32 0.00 0.00 175.29 174.46 2wwq n VAL 134 N -0.97 0.77 -4.02 3.63 0.31 -0.38 -4.92 118.33 112.74 2wwq n VAL 134 Ca -0.04 0.26 -0.27 0.00 -0.01 0.00 0.00 64.34 64.27 2wwq n VAL 134 Cb 0.54 -1.63 -0.01 0.00 -0.91 0.00 0.00 33.84 31.83 2wwq n VAL 134 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2wwq n HIS 135 N -3.31 -0.31 0.48 3.52 -0.00 -1.10 -5.01 115.22 109.49 2wwq n HIS 135 Ca -0.04 -2.39 0.12 0.00 -0.00 0.00 0.00 57.72 55.42 2wwq n HIS 135 Cb 0.14 -0.44 0.46 0.00 -0.00 0.00 0.00 29.99 30.15 2wwq n HIS 135 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2wwq n SER 136 N -1.75 0.75 -0.10 0.41 7.64 -1.26 -3.23 113.62 116.09 2wwq n SER 136 Ca -0.05 0.63 0.03 0.00 1.01 0.00 0.00 58.87 60.49 2wwq n SER 136 Cb 0.64 -0.81 0.04 0.00 -1.01 0.00 0.00 64.21 63.06 2wwq n SER 136 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wwq n GLU 137 N -2.28 1.45 -4.54 1.43 -0.58 -1.26 -5.01 120.64 109.85 2wwq n GLU 137 Ca 0.03 -1.51 -0.23 0.00 -0.42 0.00 0.00 57.16 55.04 2wwq n GLU 137 Cb 0.31 -0.95 -0.16 0.00 -0.57 0.00 0.00 31.44 30.07 2wwq n GLU 137 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2wwq s VAL 138 N -1.15 1.01 0.28 2.62 1.01 -1.20 -5.09 120.40 117.88 2wwq s VAL 138 Ca 0.09 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 2wwq s VAL 138 Cb 0.08 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.56 2wwq s VAL 138 CO 0.01 0.31 0.52 0.72 0.00 0.00 0.00 175.10 176.66 2wwq s PHE 139 N 0.26 0.46 -0.36 5.22 -0.71 -1.26 -1.25 117.98 120.34 2wwq s PHE 139 Ca -0.06 -0.83 0.05 0.00 -1.04 0.00 0.00 56.93 55.06 2wwq s PHE 139 Cb -0.11 0.22 0.17 0.00 -1.21 0.00 0.00 43.02 42.10 2wwq s PHE 139 CO 0.01 -1.09 0.51 0.00 -1.34 0.00 0.00 175.22 173.31 2wwq s ALA 140 N -3.65 -1.58 0.44 1.99 0.00 -1.02 -4.93 121.76 113.01 2wwq s ALA 140 Ca 0.23 -0.01 -0.23 0.00 0.00 0.00 0.00 51.96 51.94 2wwq s ALA 140 Cb -0.01 -2.38 -0.08 0.00 0.00 0.00 0.00 23.12 20.65 2wwq s ALA 140 CO 0.11 -2.05 1.13 0.15 0.00 0.00 0.00 175.76 175.10 2wwq s LYS 141 N 2.00 3.87 0.44 0.00 1.02 -1.26 -3.89 119.74 121.92 2wwq s LYS 141 Ca 0.14 1.69 0.03 0.00 0.02 0.00 0.00 55.97 57.85 2wwq s LYS 141 Cb -0.10 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 2wwq s LYS 141 CO -0.13 -0.44 0.04 0.14 -0.92 0.00 0.00 175.35 174.04 2wwq s VAL 142 N -1.59 1.15 -0.19 3.17 -7.23 -1.22 -5.00 120.40 109.49 2wwq s VAL 142 Ca 0.62 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 2wwq s VAL 142 Cb -0.26 -2.43 0.02 0.00 0.56 0.00 0.00 36.38 34.27 2wwq s VAL 142 CO 0.32 0.00 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.30 2wwq s ILE 143 N -2.99 2.17 0.39 -0.62 1.01 -1.26 -4.82 121.20 115.07 2wwq s ILE 143 Ca 0.19 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.89 2wwq s ILE 143 Cb 0.04 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 2wwq s ILE 143 CO 0.10 0.47 0.12 1.33 0.00 0.00 0.00 174.94 176.96 2wwq n VAL 144 N 4.61 0.00 0.00 2.92 0.24 -1.26 -5.17 118.33 119.67 2wwq n VAL 144 Ca -0.20 -2.19 0.00 0.00 -2.04 0.00 0.00 64.34 59.91 2wwq n VAL 144 Cb 0.49 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 2wwq n VAL 144 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2wwq n ASN 145 N -1.53 0.00 -4.09 -1.34 5.15 -1.26 -4.95 115.26 107.24 2wwq n ASN 145 Ca -0.07 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.70 2wwq n ASN 145 Cb 0.57 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.67 2wwq n ASN 145 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2wwq s VAL 146 N -1.30 1.01 0.00 3.44 1.01 -1.26 -4.95 120.40 118.35 2wwq s VAL 146 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2wwq s VAL 146 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2wwq s VAL 146 CO 0.00 0.29 0.00 1.33 0.00 0.00 0.00 175.10 176.72 2wwq n VAL 147 N 2.78 0.00 -2.92 2.92 0.24 -1.26 -4.60 118.33 115.49 2wwq n VAL 147 Ca -0.14 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.72 2wwq n VAL 147 Cb 0.55 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.91 2wwq n VAL 147 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wwq s ALA 148 N -2.00 3.53 0.00 2.33 0.00 -1.26 -4.45 121.76 119.91 2wwq s ALA 148 Ca 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 51.96 49.04 2wwq s ALA 148 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 19.03 2wwq s ALA 148 CO 0.00 -2.94 0.00 0.39 0.00 0.00 0.00 175.76 173.21