#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w2w s GLN 8 N 0.00 4.17 -0.27 1.97 2.00 -1.26 -5.05 119.66 121.22 2w2w s GLN 8 Ca 0.00 -0.15 -0.26 0.00 -2.00 0.00 0.00 55.36 52.95 2w2w s GLN 8 Cb 0.00 -3.47 0.15 0.00 0.80 0.00 0.00 33.01 30.50 2w2w s GLN 8 CO 0.00 0.19 1.21 -1.14 -0.50 0.00 0.00 175.29 175.05 2w2w s GLN 9 N 0.66 0.31 0.00 1.67 -0.44 -1.26 -1.61 119.66 118.99 2w2w s GLN 9 Ca 0.10 0.28 0.00 0.00 -2.50 0.00 0.00 55.36 53.24 2w2w s GLN 9 Cb -0.12 0.15 0.00 0.00 -1.64 0.00 0.00 33.01 31.40 2w2w s GLN 9 CO 0.02 -0.06 0.00 0.41 0.50 0.00 0.00 175.29 176.16 2w2w n GLY 10 N 1.55 -1.28 3.82 2.59 0.00 -0.86 -5.02 105.19 105.99 2w2w n GLY 10 Ca -0.10 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 2w2w n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2w2w s GLU 11 N -0.55 4.25 0.00 1.61 -1.05 -1.26 -1.45 118.70 120.25 2w2w s GLU 11 Ca 0.00 0.98 0.00 0.00 -0.15 0.00 0.00 54.97 55.80 2w2w s GLU 11 Cb 0.00 -2.55 0.00 0.00 -0.44 0.00 0.00 34.13 31.14 2w2w s GLU 11 CO 0.00 0.19 0.00 1.28 0.95 0.00 0.00 175.26 177.68 2w2w n LEU 12 N 0.02 0.00 -1.29 1.83 4.77 -1.26 -4.91 117.00 116.16 2w2w n LEU 12 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2w2w n LEU 12 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2w2w n LEU 12 CO 0.41 0.00 -0.20 1.41 -1.33 0.00 0.00 177.39 177.68 2w2w n HIS 25 N -0.27 -1.90 -3.06 -1.77 8.25 -1.26 -4.95 115.22 110.26 2w2w n HIS 25 Ca 0.00 1.01 -0.40 0.00 -0.26 0.00 0.00 57.72 58.07 2w2w n HIS 25 Cb 0.01 -1.74 -0.05 0.00 1.12 0.00 0.00 29.99 29.32 2w2w n HIS 25 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2w2w s PHE 26 N -3.49 3.50 0.16 4.41 5.36 -1.26 -4.86 117.98 121.80 2w2w s PHE 26 Ca 0.00 1.15 0.07 0.00 -0.96 0.00 0.00 56.93 57.19 2w2w s PHE 26 Cb 0.00 -2.82 -0.04 0.00 -0.34 0.00 0.00 43.02 39.82 2w2w s PHE 26 CO 0.00 -0.01 -0.15 0.00 -1.46 0.00 0.00 175.22 173.60 2w2w s ALA 28 N -2.53 -0.88 -0.22 0.00 0.00 -0.67 -2.02 121.76 115.44 2w2w s ALA 28 Ca 0.15 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.43 2w2w s ALA 28 Cb -0.03 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.35 2w2w s ALA 28 CO 0.05 -0.37 -0.13 0.42 0.00 0.00 0.00 175.76 175.73 2w2w s ILE 29 N -1.99 1.93 -0.02 0.00 1.01 -0.63 -0.76 121.20 120.74 2w2w s ILE 29 Ca -0.09 -1.24 0.05 0.00 0.00 0.00 0.00 60.65 59.37 2w2w s ILE 29 Cb -0.02 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 2w2w s ILE 29 CO 0.01 0.17 -0.16 0.00 0.00 0.00 0.00 174.94 174.96 2w2w s ALA 30 N 1.26 1.36 0.00 9.38 0.00 -0.77 -4.30 121.76 128.70 2w2w s ALA 30 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2w2w s ALA 30 Cb -0.17 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2w2w s ALA 30 CO -0.08 0.30 0.00 -0.25 0.00 0.00 0.00 175.76 175.73 2w2w n ASP 31 N 2.87 0.00 -1.27 0.00 10.43 -1.26 -0.48 116.55 126.84 2w2w n ASP 31 Ca -0.16 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.12 2w2w n ASP 31 Cb 0.54 0.00 0.13 0.00 1.84 0.00 0.00 41.12 43.63 2w2w n ASP 31 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2w2w n ALA 32 N 11.75 4.35 -2.77 2.24 0.00 -1.26 -5.02 120.51 129.79 2w2w n ALA 32 Ca 0.00 -3.50 -0.27 0.00 0.00 0.00 0.00 53.44 49.68 2w2w n ALA 32 Cb 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 19.45 18.88 2w2w n ALA 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2w2w s LYS 33 N -3.40 1.82 -0.24 0.00 0.00 0.37 -1.07 119.74 117.22 2w2w s LYS 33 Ca 0.45 -0.67 -0.04 0.00 0.00 0.00 0.00 55.97 55.71 2w2w s LYS 33 Cb 0.39 -1.62 -0.00 0.00 0.00 0.00 0.00 37.83 36.60 2w2w s LYS 33 CO -0.02 0.30 -0.01 -1.17 0.00 0.00 0.00 175.35 174.45 2w2w s LEU 34 N -0.11 3.16 0.02 2.77 0.20 -0.10 -1.84 118.68 122.78 2w2w s LEU 34 Ca -0.01 -0.51 0.01 0.00 0.69 0.00 0.00 54.13 54.32 2w2w s LEU 34 Cb -0.11 -1.77 -0.04 0.00 -0.43 0.00 0.00 46.19 43.85 2w2w s LEU 34 CO 0.02 -0.07 0.05 -0.94 -0.29 0.00 0.00 176.35 175.12 2w2w s SER 35 N 1.47 5.45 -0.01 3.68 1.04 0.06 -0.62 113.70 124.77 2w2w s SER 35 Ca 0.04 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2w2w s SER 35 Cb -0.15 -1.49 0.01 0.00 0.10 0.00 0.00 66.02 64.49 2w2w s SER 35 CO -0.02 0.24 -0.00 0.72 0.98 0.00 0.00 173.24 175.17 2w2w s PHE 36 N -1.22 0.12 0.49 5.02 -0.12 -0.75 -1.68 117.98 119.84 2w2w s PHE 36 Ca 0.24 0.02 -0.04 0.00 -0.05 0.00 0.00 56.93 57.10 2w2w s PHE 36 Cb -0.12 -0.16 0.10 0.00 -0.63 0.00 0.00 43.02 42.22 2w2w s PHE 36 CO 0.15 -0.04 0.67 -1.13 -0.05 0.00 0.00 175.22 174.82 2w2w n SER 37 N 3.48 0.54 0.00 1.98 3.41 -0.64 -1.95 113.62 120.43 2w2w n SER 37 Ca -0.18 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 2w2w n SER 37 Cb 0.56 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2w2w n SER 37 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2w2w n ASP 38 N -3.15 0.00 -0.26 4.04 8.00 -1.26 -4.62 116.55 119.30 2w2w n ASP 38 Ca 0.10 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.69 2w2w n ASP 38 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 2w2w n ASP 38 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2w2w n SER 52 N -0.46 0.00 -1.04 -2.24 2.88 -1.26 -4.64 113.62 106.85 2w2w n SER 52 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 2w2w n SER 52 Cb 0.00 -0.43 0.23 0.00 -0.75 0.00 0.00 64.21 63.26 2w2w n SER 52 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2w2w n LEU 53 N -0.63 3.03 -2.71 2.46 0.00 -1.26 -4.43 117.00 113.46 2w2w n LEU 53 Ca 0.00 -1.52 -0.08 0.00 0.00 0.00 0.00 56.01 54.41 2w2w n LEU 53 Cb 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 43.42 43.12 2w2w n LEU 53 CO 0.00 0.63 0.45 0.00 0.00 0.00 0.00 177.39 178.46 2w2w n ARG 55 N -0.13 0.07 -3.54 0.00 3.00 -0.82 -4.74 116.66 110.49 2w2w n ARG 55 Ca 0.00 0.43 -0.13 0.00 -0.00 0.00 0.00 57.85 58.15 2w2w n ARG 55 Cb 0.77 -1.67 -0.05 0.00 0.00 0.00 0.00 32.46 31.51 2w2w n ARG 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2w2w s GLY 56 N -3.23 -0.41 -0.03 5.14 0.00 -1.07 -5.04 107.32 102.69 2w2w s GLY 56 Ca 0.03 1.58 0.01 0.00 0.00 0.00 0.00 44.72 46.34 2w2w s GLY 56 CO 0.21 0.86 -0.01 -0.42 0.00 0.00 0.00 173.10 173.74 2w2w s ILE 57 N -1.56 0.26 -0.11 0.90 1.01 -1.26 -1.81 121.20 118.63 2w2w s ILE 57 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 60.65 60.62 2w2w s ILE 57 Cb -0.00 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.12 2w2w s ILE 57 CO 0.02 0.15 -0.09 -0.76 0.00 0.00 0.00 174.94 174.25 2w2w s LEU 58 N 0.79 2.98 -0.55 2.97 1.43 0.21 -4.95 118.68 121.56 2w2w s LEU 58 Ca -0.08 -0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.64 2w2w s LEU 58 Cb -0.12 -1.67 0.06 0.00 0.03 0.00 0.00 46.19 44.50 2w2w s LEU 58 CO -0.01 0.25 0.76 -0.62 0.23 0.00 0.00 176.35 176.97 2w2w s ASP 59 N -0.15 6.24 0.56 2.29 -1.08 -1.26 -0.92 116.67 122.35 2w2w s ASP 59 Ca 0.01 -0.83 0.23 0.00 -0.52 0.00 0.00 52.55 51.45 2w2w s ASP 59 Cb -0.13 -2.35 1.56 0.00 -1.46 0.00 0.00 42.92 40.54 2w2w s ASP 59 CO 0.03 -1.08 2.20 -0.07 0.52 0.00 0.00 175.17 176.77 2w2w h LEU 60 N 10.30 0.00 -2.03 -1.34 3.38 -1.47 -0.80 115.31 123.34 2w2w h LEU 60 Ca -0.27 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.79 2w2w h LEU 60 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2w2w h LEU 60 CO 1.04 0.00 0.23 0.78 0.09 0.00 0.00 178.44 180.59 2w2w h ASN 61 N 0.00 0.00 0.66 -0.43 2.35 -1.90 -1.28 115.58 114.98 2w2w h ASN 61 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2w2w h ASN 61 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2w2w h ASN 61 CO -0.00 0.00 -0.62 0.35 -1.65 0.00 0.00 177.43 175.51 2w2w n THR 62 N -4.35 0.18 -3.93 2.81 -2.24 -0.31 -4.96 114.28 101.48 2w2w n THR 62 Ca 0.05 -0.15 -0.24 0.00 -2.27 0.00 0.00 64.05 61.43 2w2w n THR 62 Cb 0.40 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.65 2w2w n THR 62 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2w2w s TYR 63 N -3.10 2.40 0.08 4.78 1.51 -0.48 -5.11 117.35 117.42 2w2w s TYR 63 Ca 0.08 -0.63 0.03 0.00 -1.01 0.00 0.00 57.07 55.54 2w2w s TYR 63 Cb 0.15 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 2w2w s TYR 63 CO 0.72 -0.05 -0.08 -0.80 -1.11 0.00 0.00 175.55 174.23 2w2w s ASN 64 N -4.05 1.16 -0.24 2.29 0.02 -1.26 -4.94 114.94 107.92 2w2w s ASN 64 Ca 0.40 -0.81 -0.04 0.00 -1.02 0.00 0.00 52.86 51.39 2w2w s ASN 64 Cb 0.00 0.05 0.00 0.00 0.02 0.00 0.00 41.25 41.32 2w2w s ASN 64 CO 0.23 -0.32 -0.02 0.68 0.02 0.00 0.00 177.10 177.69 2w2w s VAL 65 N -2.59 3.44 0.06 1.60 -7.23 -1.26 -4.07 120.40 110.35 2w2w s VAL 65 Ca 0.03 -0.62 0.05 0.00 -1.81 0.00 0.00 61.98 59.64 2w2w s VAL 65 Cb -0.02 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 2w2w s VAL 65 CO -0.02 0.30 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.30 2w2w s VAL 66 N 1.46 3.47 0.05 1.32 1.01 -0.51 -4.96 120.40 122.24 2w2w s VAL 66 Ca 0.04 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 2w2w s VAL 66 Cb -0.15 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2w2w s VAL 66 CO -0.02 0.24 0.22 -0.75 0.00 0.00 0.00 175.10 174.79 2w2w s LYS 67 N -1.84 3.46 -0.50 2.72 2.20 -1.26 -0.55 119.74 123.97 2w2w s LYS 67 Ca 0.19 -0.37 -0.08 0.00 -0.36 0.00 0.00 55.97 55.36 2w2w s LYS 67 Cb -0.11 -3.04 0.13 0.00 -1.51 0.00 0.00 37.83 33.30 2w2w s LYS 67 CO 0.11 0.61 0.35 0.00 -0.36 0.00 0.00 175.35 176.07 2w2w s ALA 68 N -1.48 3.41 0.13 3.13 0.00 -1.11 -4.95 121.76 120.89 2w2w s ALA 68 Ca 0.34 -2.67 -0.29 0.00 0.00 0.00 0.00 51.96 49.33 2w2w s ALA 68 Cb -0.13 -2.77 -0.06 0.00 0.00 0.00 0.00 23.12 20.16 2w2w s ALA 68 CO 0.25 -1.93 1.58 -1.35 0.00 0.00 0.00 175.76 174.32 2w2w h PRO 69 N 8.17 -0.50 0.00 0.00 0.11 -1.95 -0.47 132.00 137.36 2w2w h PRO 69 Ca -0.16 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2w2w h PRO 69 Cb 1.05 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2w2w h PRO 69 CO 0.81 -0.33 0.00 0.00 -0.21 0.00 0.00 178.00 178.26 2w2w n GLN 70 N -5.44 0.04 0.00 1.05 0.00 -1.26 -4.99 117.38 106.78 2w2w n GLN 70 Ca -0.05 0.39 0.00 0.00 0.00 0.00 0.00 57.00 57.34 2w2w n GLN 70 Cb 0.36 -1.60 0.00 0.00 0.00 0.00 0.00 30.24 29.00 2w2w n GLN 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2w2w n GLY 71 N -0.58 -1.59 3.60 2.61 0.00 -0.19 -4.96 105.19 104.08 2w2w n GLY 71 Ca 0.02 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 2w2w n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2w2w s LYS 72 N 0.00 0.62 -1.55 1.61 2.20 -0.98 -4.91 119.74 116.73 2w2w s LYS 72 Ca 0.00 0.43 -0.05 0.00 -0.36 0.00 0.00 55.97 55.99 2w2w s LYS 72 Cb 0.00 0.30 0.05 0.00 -1.51 0.00 0.00 37.83 36.67 2w2w s LYS 72 CO 0.00 -0.14 0.34 0.09 -0.36 0.00 0.00 175.35 175.28 2w2w n ASN 73 N 1.58 -0.46 -0.40 1.43 3.02 -1.26 -0.89 115.26 118.27 2w2w n ASN 73 Ca -0.12 -1.13 -0.05 0.00 -0.03 0.00 0.00 54.58 53.24 2w2w n ASN 73 Cb 0.57 -2.32 -0.02 0.00 -0.61 0.00 0.00 39.78 37.39 2w2w n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2w2w n GLN 74 N -4.43 -1.02 -4.57 3.52 6.02 -1.26 -5.00 117.38 110.64 2w2w n GLN 74 Ca -0.21 0.57 -0.33 0.00 -0.01 0.00 0.00 57.00 57.01 2w2w n GLN 74 Cb 0.64 -4.49 -0.13 0.00 1.02 0.00 0.00 30.24 27.27 2w2w n GLN 74 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2w2w s LYS 75 N -1.97 3.48 0.16 -1.09 -0.14 -0.07 -5.05 119.74 115.06 2w2w s LYS 75 Ca 0.00 -0.59 -0.06 0.00 -1.36 0.00 0.00 55.97 53.96 2w2w s LYS 75 Cb 0.00 -2.78 0.01 0.00 -1.68 0.00 0.00 37.83 33.38 2w2w s LYS 75 CO 0.00 0.27 1.43 0.77 -0.76 0.00 0.00 175.35 177.06 2w2w h SER 76 N 6.57 0.73 -3.59 2.83 0.02 -1.88 -2.59 113.55 115.63 2w2w h SER 76 Ca -0.30 -0.43 -0.63 0.00 -0.84 0.00 0.00 61.79 59.59 2w2w h SER 76 Cb 1.20 -0.21 -0.39 0.00 0.14 0.00 0.00 62.40 63.14 2w2w h SER 76 CO 0.59 1.18 -0.76 -0.36 -1.14 0.00 0.00 176.83 176.34 2w2w s PHE 77 N -3.90 2.77 0.05 3.45 0.08 -1.26 -4.33 117.98 114.84 2w2w s PHE 77 Ca -0.08 -2.18 0.02 0.00 0.12 0.00 0.00 56.93 54.81 2w2w s PHE 77 Cb 0.10 -2.03 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 2w2w s PHE 77 CO 0.86 -0.86 -0.07 0.14 -0.10 0.00 0.00 175.22 175.20 2w2w s VAL 78 N 1.26 0.53 0.19 -0.44 -7.23 -1.26 -1.59 120.40 111.86 2w2w s VAL 78 Ca 0.01 -1.22 0.09 0.00 -1.81 0.00 0.00 61.98 59.06 2w2w s VAL 78 Cb -0.19 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 2w2w s VAL 78 CO -0.10 -0.48 -0.18 0.72 -0.31 0.00 0.00 175.10 174.75 2w2w s PHE 79 N -1.78 1.89 -0.07 2.82 -0.71 -0.82 -2.76 117.98 116.55 2w2w s PHE 79 Ca -0.07 -0.47 0.03 0.00 -1.04 0.00 0.00 56.93 55.39 2w2w s PHE 79 Cb -0.07 -0.91 0.01 0.00 -1.21 0.00 0.00 43.02 40.83 2w2w s PHE 79 CO -0.01 0.40 -0.16 0.42 -1.34 0.00 0.00 175.22 174.53 2w2w s ILE 80 N -2.27 1.39 -0.16 -4.49 1.01 0.29 -1.62 121.20 115.36 2w2w s ILE 80 Ca 0.19 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 2w2w s ILE 80 Cb -0.05 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 2w2w s ILE 80 CO 0.08 0.41 -0.21 0.18 0.00 0.00 0.00 174.94 175.40 2w2w n LEU 81 N 3.63 1.85 -1.91 2.97 4.32 -1.26 -1.42 117.00 125.18 2w2w n LEU 81 Ca -0.21 0.54 0.00 0.00 -0.02 0.00 0.00 56.01 56.32 2w2w n LEU 81 Cb 0.52 -0.84 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 2w2w n LEU 81 CO 0.26 -0.37 -0.39 0.52 -1.22 0.00 0.00 177.39 176.19 2w2w n VAL 91 N -4.56 -7.00 -3.90 4.08 0.31 -1.26 -4.82 118.33 101.18 2w2w n VAL 91 Ca -0.11 2.41 -0.35 0.00 -0.01 0.00 0.00 64.34 66.28 2w2w n VAL 91 Cb 0.36 -3.45 -0.14 0.00 -0.91 0.00 0.00 33.84 29.71 2w2w n VAL 91 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2w2w s GLU 92 N -1.33 2.80 0.20 5.55 2.02 -1.26 -5.05 118.70 121.62 2w2w s GLU 92 Ca 0.00 -1.02 0.05 0.00 0.02 0.00 0.00 54.97 54.02 2w2w s GLU 92 Cb 0.00 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 2w2w s GLU 92 CO 0.00 -0.46 0.20 -0.06 0.02 0.00 0.00 175.26 174.95 2w2w s PHE 93 N 1.35 3.22 -0.01 1.61 0.40 -0.64 -5.03 117.98 118.89 2w2w s PHE 93 Ca -0.01 -0.03 -0.19 0.00 -0.60 0.00 0.00 56.93 56.10 2w2w s PHE 93 Cb -0.17 -1.51 0.04 0.00 0.51 0.00 0.00 43.02 41.88 2w2w s PHE 93 CO -0.02 0.51 0.42 0.00 0.70 0.00 0.00 175.22 176.83 2w2w s ALA 94 N -1.89 -1.07 0.29 5.36 0.00 -1.26 -1.95 121.76 121.25 2w2w s ALA 94 Ca 0.32 0.55 0.05 0.00 0.00 0.00 0.00 51.96 52.88 2w2w s ALA 94 Cb -0.09 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 23.10 2w2w s ALA 94 CO 0.25 -0.34 -0.00 0.95 0.00 0.00 0.00 175.76 176.62 2w2w s THR 95 N -1.61 1.37 -0.09 0.00 -4.23 -0.62 -4.74 115.64 105.72 2w2w s THR 95 Ca -0.11 -2.05 -0.14 0.00 -1.18 0.00 0.00 61.69 58.21 2w2w s THR 95 Cb -0.03 -2.58 -0.11 0.00 1.34 0.00 0.00 72.50 71.12 2w2w s THR 95 CO 0.04 -0.18 0.48 0.44 -0.54 0.00 0.00 174.62 174.86 2w2w h ASP 96 N 2.23 -0.11 -2.88 3.99 3.32 -1.93 -3.40 116.42 117.64 2w2w h ASP 96 Ca -0.40 -0.30 -0.63 0.00 0.02 0.00 0.00 57.03 55.72 2w2w h ASP 96 Cb 1.24 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.76 2w2w h ASP 96 CO 0.68 0.50 -0.42 -0.54 -1.72 0.00 0.00 179.24 177.74 2w2w s LYS 97 N -2.43 3.53 0.32 3.56 -0.14 -1.26 -4.90 119.74 118.43 2w2w s LYS 97 Ca -0.08 -0.16 0.00 0.00 -1.36 0.00 0.00 55.97 54.37 2w2w s LYS 97 Cb -0.00 -3.07 0.55 0.00 -1.68 0.00 0.00 37.83 33.62 2w2w s LYS 97 CO 0.30 0.65 1.98 -0.24 -0.76 0.00 0.00 175.35 177.28 2w2w h VAL 98 N 2.92 1.17 -0.90 3.17 3.04 -1.98 -2.53 116.25 121.14 2w2w h VAL 98 Ca -0.49 -0.34 0.03 0.00 -1.01 0.00 0.00 66.70 64.88 2w2w h VAL 98 Cb 1.19 0.10 -0.05 0.00 -2.01 0.00 0.00 31.29 30.52 2w2w h VAL 98 CO 0.67 0.18 0.59 1.05 -1.01 0.00 0.00 177.57 179.06 2w2w h GLU 99 N 0.99 1.12 0.26 4.17 9.09 -1.99 -2.17 114.58 126.04 2w2w h GLU 99 Ca 0.28 -0.07 -0.01 0.00 0.05 0.00 0.00 59.36 59.61 2w2w h GLU 99 Cb -0.07 -0.25 0.00 0.00 -1.65 0.00 0.00 28.75 26.78 2w2w h GLU 99 CO -0.07 0.74 -0.12 0.93 0.05 0.00 0.00 179.01 180.54 2w2w h GLU 100 N 1.15 -0.33 -0.90 1.06 5.08 -1.87 -2.34 114.58 116.43 2w2w h GLU 100 Ca 0.35 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.96 2w2w h GLU 100 Cb -0.03 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.13 2w2w h GLU 100 CO -0.10 -0.14 0.02 1.25 -1.00 0.00 0.00 179.01 179.05 2w2w h LEU 101 N -0.46 -0.41 -2.51 1.33 5.85 -1.36 -0.08 115.31 117.67 2w2w h LEU 101 Ca -0.04 0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2w2w h LEU 101 Cb 0.35 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2w2w h LEU 101 CO 0.06 -0.27 -0.02 -0.26 -0.34 0.00 0.00 178.44 177.61 2w2w h PHE 102 N 0.06 0.00 0.00 1.25 0.04 -0.85 -0.45 116.94 116.99 2w2w h PHE 102 Ca 0.52 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 61.17 2w2w h PHE 102 Cb 1.01 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.14 2w2w h PHE 102 CO -0.47 0.02 -1.98 -1.91 -0.60 0.00 0.00 178.31 173.38 2w2w n GLU 103 N -3.40 0.80 0.16 1.51 2.13 -0.12 -3.00 120.64 118.72 2w2w n GLU 103 Ca -0.02 -0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.69 2w2w n GLU 103 Cb 0.13 -1.44 0.25 0.00 0.27 0.00 0.00 31.44 30.64 2w2w n GLU 103 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 2w2w h TRP 104 N 0.00 0.00 0.03 4.31 -0.00 -1.20 -1.38 115.95 117.71 2w2w h TRP 104 Ca -0.18 0.00 -0.23 0.00 -0.00 0.00 0.00 58.89 58.48 2w2w h TRP 104 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.47 2w2w h TRP 104 CO 0.00 0.51 -0.99 0.35 -0.00 0.00 0.00 178.44 178.31 2w2w h PHE 105 N 0.00 0.55 0.27 0.49 3.57 -1.23 -3.02 116.94 117.58 2w2w h PHE 105 Ca -0.01 -0.32 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 2w2w h PHE 105 Cb 0.92 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2w2w h PHE 105 CO 0.00 1.15 -0.13 1.96 -2.23 0.00 0.00 178.31 179.06 2w2w h GLN 106 N 0.18 -0.35 -0.42 1.11 1.08 -1.54 -2.99 115.11 112.18 2w2w h GLN 106 Ca -0.09 0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.23 2w2w h GLN 106 Cb 1.65 0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 29.07 2w2w h GLN 106 CO 0.17 -0.02 -0.18 0.77 -0.95 0.00 0.00 178.83 178.62 2w2w h SER 107 N -0.94 -0.61 -0.70 1.46 0.02 -1.39 0.14 113.55 111.53 2w2w h SER 107 Ca -0.04 0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 2w2w h SER 107 Cb 0.49 0.35 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 2w2w h SER 107 CO 0.06 -0.21 0.17 0.40 -1.14 0.00 0.00 176.83 176.11 2w2w h ILE 108 N -0.09 1.26 0.00 3.27 2.04 -1.66 -2.93 117.51 119.40 2w2w h ILE 108 Ca 0.21 -0.96 -0.19 0.00 1.00 0.00 0.00 64.86 64.91 2w2w h ILE 108 Cb 0.41 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2w2w h ILE 108 CO -0.48 0.37 -0.85 -0.09 0.00 0.00 0.00 178.15 177.09 2w2w h ARG 109 N 1.05 0.13 -0.14 2.37 2.43 -1.30 -1.55 114.38 117.37 2w2w h ARG 109 Ca 0.22 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2w2w h ARG 109 Cb 0.37 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2w2w h ARG 109 CO 0.00 0.90 0.00 0.39 -1.51 0.00 0.00 179.97 179.76 2w2w n GLU 110 N -3.63 0.31 0.00 0.20 1.02 0.46 -1.24 120.64 117.76 2w2w n GLU 110 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2w2w n GLU 110 Cb 0.80 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 31.15 2w2w n GLU 110 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2w2w n ILE 111 N -0.12 0.00 0.44 -3.67 5.41 -0.87 -4.48 119.36 116.08 2w2w n ILE 111 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 2w2w n ILE 111 Cb 0.03 -0.22 0.21 0.00 -0.71 0.00 0.00 39.64 38.96 2w2w n ILE 111 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2w2w h THR 112 N 0.00 0.00 -0.54 1.39 1.35 -1.03 -3.02 112.91 111.05 2w2w h THR 112 Ca 0.00 -0.67 -0.23 0.00 -0.55 0.00 0.00 66.41 64.96 2w2w h THR 112 Cb 0.25 1.44 -0.14 0.00 -1.73 0.00 0.00 68.15 67.97 2w2w h THR 112 CO 0.00 0.00 0.16 0.79 -0.25 0.00 0.00 175.52 176.22 2w2w n TRP 113 N -2.44 1.73 -0.69 4.73 7.02 -0.37 -5.07 117.44 122.35 2w2w n TRP 113 Ca 0.04 -1.48 0.00 0.00 -1.02 0.00 0.00 57.50 55.04 2w2w n TRP 113 Cb 0.47 -0.60 0.00 0.00 -2.42 0.00 0.00 31.31 28.76 2w2w n TRP 113 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03