#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tbd s SER 2 N 0.00 -0.35 -1.02 1.61 0.15 -1.26 -5.05 113.70 107.78 2tbd s SER 2 Ca 0.00 -0.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.61 2tbd s SER 2 Cb 0.00 1.00 0.26 0.00 -1.71 0.00 0.00 66.02 65.58 2tbd s SER 2 CO 0.00 -0.06 2.05 2.29 1.20 0.00 0.00 173.24 178.72 2tbd n LYS 3 N 4.71 4.61 -1.29 5.44 2.85 -1.26 -5.02 118.16 128.20 2tbd n LYS 3 Ca 0.09 -4.06 -0.39 0.00 -1.05 0.00 0.00 58.31 52.90 2tbd n LYS 3 Cb 0.59 -2.45 0.02 0.00 -0.65 0.00 0.00 35.03 32.54 2tbd n LYS 3 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2tbd n VAL 4 N 0.31 0.50 -3.04 0.58 3.14 -1.26 -4.83 118.33 113.73 2tbd n VAL 4 Ca 0.52 -0.50 -0.44 0.00 -2.96 0.00 0.00 64.34 60.95 2tbd n VAL 4 Cb 0.27 -0.15 -0.04 0.00 -1.06 0.00 0.00 33.84 32.87 2tbd n VAL 4 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2tbd s GLU 5 N -1.26 3.27 -0.17 1.45 2.02 -1.26 -5.00 118.70 117.76 2tbd s GLU 5 Ca 0.59 -1.49 -0.37 0.00 0.02 0.00 0.00 54.97 53.72 2tbd s GLU 5 Cb -0.48 -4.45 -0.13 0.00 0.10 0.00 0.00 34.13 29.16 2tbd s GLU 5 CO 0.64 -1.62 1.82 -3.47 0.02 0.00 0.00 175.26 172.65 2tbd n ASP 6 N 6.34 3.00 -4.66 -0.19 2.03 -1.26 -4.88 116.55 116.92 2tbd n ASP 6 Ca 0.03 1.02 -0.43 0.00 0.52 0.00 0.00 54.79 55.93 2tbd n ASP 6 Cb 0.45 -1.27 -0.02 0.00 -0.72 0.00 0.00 41.12 39.56 2tbd n ASP 6 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2tbd s PRO 7 N 3.84 4.26 0.00 -0.67 0.04 -1.26 -4.90 135.00 136.30 2tbd s PRO 7 Ca 0.95 1.44 0.31 0.00 0.04 0.00 0.00 61.00 63.74 2tbd s PRO 7 Cb -0.85 -3.67 1.84 0.00 0.04 0.00 0.00 34.50 31.86 2tbd s PRO 7 CO 0.58 -0.64 2.19 0.36 0.04 0.00 0.00 177.00 179.52 2tbd n LYS 8 N 6.35 1.02 -3.48 4.56 2.85 -1.26 -4.94 118.16 123.26 2tbd n LYS 8 Ca 0.12 -0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 2tbd n LYS 8 Cb 0.46 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.35 2tbd n LYS 8 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2tbd n ASP 9 N -0.95 0.00 -4.79 -5.58 -0.08 -1.26 -5.05 116.55 98.85 2tbd n ASP 9 Ca 0.23 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.18 2tbd n ASP 9 Cb 0.12 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.60 2tbd n ASP 9 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2tbd s PHE 10 N -3.00 2.82 0.48 -0.67 0.40 -1.26 -5.01 117.98 111.75 2tbd s PHE 10 Ca 0.00 1.53 -0.19 0.00 -0.60 0.00 0.00 56.93 57.67 2tbd s PHE 10 Cb 0.00 -3.10 -0.09 0.00 0.51 0.00 0.00 43.02 40.34 2tbd s PHE 10 CO 0.00 -1.35 1.01 -1.25 0.70 0.00 0.00 175.22 174.33 2tbd s PRO 11 N -3.93 3.90 0.33 0.24 0.04 -1.26 -4.88 135.00 129.43 2tbd s PRO 11 Ca 0.66 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.96 2tbd s PRO 11 Cb -0.18 -2.12 0.57 0.00 0.04 0.00 0.00 34.50 32.81 2tbd s PRO 11 CO 0.36 -0.33 1.85 1.03 0.04 0.00 0.00 177.00 179.95 2tbd h SER 12 N 1.46 0.49 0.15 6.66 0.87 -1.97 0.08 113.55 121.28 2tbd h SER 12 Ca -0.49 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 2tbd h SER 12 Cb 1.20 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2tbd h SER 12 CO 0.60 0.59 0.00 1.21 -0.53 0.00 0.00 176.83 178.70 2tbd n GLU 13 N -4.25 0.04 -0.00 2.24 4.07 -1.26 -1.75 120.64 119.73 2tbd n GLU 13 Ca 0.01 0.47 0.01 0.00 -0.06 0.00 0.00 57.16 57.59 2tbd n GLU 13 Cb 0.27 -1.62 -0.01 0.00 -0.06 0.00 0.00 31.44 30.03 2tbd n GLU 13 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2tbd n LEU 14 N -1.70 0.04 0.00 4.31 7.94 -0.54 -4.53 117.00 122.52 2tbd n LEU 14 Ca 0.01 -0.26 0.11 0.00 -1.11 0.00 0.00 56.01 54.76 2tbd n LEU 14 Cb 0.06 0.00 0.56 0.00 0.53 0.00 0.00 43.42 44.57 2tbd n LEU 14 CO 0.06 0.01 0.84 0.18 -1.11 0.00 0.00 177.39 177.37 2tbd n LEU 15 N -1.29 0.00 0.30 -1.96 4.77 -0.10 -3.24 117.00 115.49 2tbd n LEU 15 Ca 0.00 0.25 0.17 0.00 -0.03 0.00 0.00 56.01 56.40 2tbd n LEU 15 Cb 0.03 -0.25 0.85 0.00 -2.33 0.00 0.00 43.42 41.72 2tbd n LEU 15 CO 0.03 -0.07 1.14 0.28 -1.33 0.00 0.00 177.39 177.44 2tbd h SER 16 N 0.00 0.00 -2.03 -1.43 0.02 -1.79 -3.23 113.55 105.09 2tbd h SER 16 Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 2tbd h SER 16 Cb 0.18 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.40 2tbd h SER 16 CO 0.00 0.00 -0.81 0.72 -1.14 0.00 0.00 176.83 175.60 2tbd s PHE 17 N -4.19 0.23 0.13 3.45 -0.12 -1.20 -5.13 117.98 111.15 2tbd s PHE 17 Ca -0.04 -1.61 -0.05 0.00 -0.05 0.00 0.00 56.93 55.19 2tbd s PHE 17 Cb 0.10 -0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 41.90 2tbd s PHE 17 CO 0.33 -0.95 0.14 -0.51 -0.05 0.00 0.00 175.22 174.19 2tbd s LEU 18 N 0.60 1.53 0.27 -1.99 1.43 -1.22 -4.58 118.68 114.71 2tbd s LEU 18 Ca 0.28 -1.01 0.18 0.00 -1.03 0.00 0.00 54.13 52.55 2tbd s LEU 18 Cb -0.03 0.68 0.08 0.00 0.03 0.00 0.00 46.19 46.95 2tbd s LEU 18 CO -0.11 -0.77 1.32 0.77 0.23 0.00 0.00 176.35 177.78 2tbd h SER 19 N 2.77 0.00 -0.57 2.29 4.64 -1.93 -3.45 113.55 117.30 2tbd h SER 19 Ca -0.34 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.75 2tbd h SER 19 Cb 1.20 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.20 2tbd h SER 19 CO 0.56 0.33 -0.21 1.41 -0.87 0.00 0.00 176.83 178.04 2tbd n HIS 20 N -3.06 -0.02 -3.68 4.77 -0.00 -1.26 -4.91 115.22 107.07 2tbd n HIS 20 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.56 2tbd n HIS 20 Cb 0.68 -2.78 -0.15 0.00 -0.00 0.00 0.00 29.99 27.74 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2tbd s ALA 21 N -1.95 -0.24 -1.82 -1.41 0.00 -1.26 -5.00 121.76 110.08 2tbd s ALA 21 Ca 0.00 0.64 0.14 0.00 0.00 0.00 0.00 51.96 52.74 2tbd s ALA 21 Cb 0.00 -0.79 0.44 0.00 0.00 0.00 0.00 23.12 22.77 2tbd s ALA 21 CO 0.00 -0.51 1.35 0.28 0.00 0.00 0.00 175.76 176.88 2tbd n VAL 22 N 5.14 0.79 0.00 0.00 0.31 -1.26 -4.55 118.33 118.75 2tbd n VAL 22 Ca -0.08 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.56 2tbd n VAL 22 Cb 0.50 0.24 0.00 0.00 -0.91 0.00 0.00 33.84 33.67 2tbd n VAL 22 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2tbd n PHE 23 N 0.86 0.00 -1.33 3.52 3.72 -1.26 -3.18 117.46 119.79 2tbd n PHE 23 Ca 0.16 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.72 2tbd n PHE 23 Cb 0.46 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.92 2tbd n PHE 23 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2tbd n SER 24 N -1.84 -6.80 -0.01 4.37 2.88 -1.26 -4.41 113.62 106.56 2tbd n SER 24 Ca 0.00 1.24 0.09 0.00 -1.33 0.00 0.00 58.87 58.87 2tbd n SER 24 Cb 0.00 -4.52 -0.13 0.00 -0.75 0.00 0.00 64.21 58.81 2tbd n SER 24 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2tbd n ASN 25 N -4.20 0.88 -3.03 -3.46 2.85 -1.26 -4.98 115.26 102.07 2tbd n ASN 25 Ca -0.08 -0.26 -0.12 0.00 -0.11 0.00 0.00 54.58 54.02 2tbd n ASN 25 Cb 0.60 1.59 0.07 0.00 1.24 0.00 0.00 39.78 43.28 2tbd n ASN 25 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2tbd n ARG 26 N -1.92 -0.08 -4.74 1.20 1.74 -1.26 -5.06 116.66 106.53 2tbd n ARG 26 Ca -0.01 -1.10 -0.33 0.00 -0.77 0.00 0.00 57.85 55.63 2tbd n ARG 26 Cb 0.41 -0.43 -0.14 0.00 -1.02 0.00 0.00 32.46 31.28 2tbd n ARG 26 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2tbd s THR 27 N -1.71 3.18 -0.13 0.55 -4.23 -1.26 -4.49 115.64 107.55 2tbd s THR 27 Ca 0.32 -0.63 -0.02 0.00 -1.18 0.00 0.00 61.69 60.18 2tbd s THR 27 Cb -0.01 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.47 2tbd s THR 27 CO 0.22 0.53 -0.08 -0.22 -0.54 0.00 0.00 174.62 174.53 2tbd s LEU 28 N 0.16 3.05 0.00 4.79 2.96 -0.15 -4.67 118.68 124.82 2tbd s LEU 28 Ca -0.06 -0.18 0.23 0.00 -0.22 0.00 0.00 54.13 53.90 2tbd s LEU 28 Cb -0.15 -1.70 0.05 0.00 0.50 0.00 0.00 46.19 44.89 2tbd s LEU 28 CO 0.05 0.21 1.10 0.00 -1.32 0.00 0.00 176.35 176.39 2tbd n ALA 29 N 3.27 4.09 -2.90 5.97 0.00 -1.26 -3.52 120.51 126.15 2tbd n ALA 29 Ca -0.18 -0.55 -0.36 0.00 0.00 0.00 0.00 53.44 52.35 2tbd n ALA 29 Cb 0.53 -0.87 -0.12 0.00 0.00 0.00 0.00 19.45 18.99 2tbd n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2tbd s PHE 31 N 1.28 2.31 -0.47 0.00 0.40 -0.96 -2.58 117.98 117.95 2tbd s PHE 31 Ca 0.05 -1.31 -0.09 0.00 -0.60 0.00 0.00 56.93 54.99 2tbd s PHE 31 Cb -0.15 -1.67 0.12 0.00 0.51 0.00 0.00 43.02 41.84 2tbd s PHE 31 CO 0.04 -0.70 0.34 0.00 0.70 0.00 0.00 175.22 175.60 2tbd s ALA 32 N 1.42 3.38 -0.19 5.36 0.00 0.60 -1.80 121.76 130.53 2tbd s ALA 32 Ca 0.04 -2.55 -0.19 0.00 0.00 0.00 0.00 51.96 49.26 2tbd s ALA 32 Cb -0.13 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 2tbd s ALA 32 CO -0.11 -1.90 0.54 0.42 0.00 0.00 0.00 175.76 174.70 2tbd s ILE 33 N 1.32 5.10 -0.16 0.00 1.01 -0.77 -1.92 121.20 125.78 2tbd s ILE 33 Ca 0.06 1.00 -0.01 0.00 0.00 0.00 0.00 60.65 61.71 2tbd s ILE 33 Cb -0.26 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 2tbd s ILE 33 CO -0.01 0.19 -0.12 -0.47 0.00 0.00 0.00 174.94 174.53 2tbd s TYR 34 N 1.52 2.84 -0.05 3.97 5.04 -0.58 -0.23 117.35 129.86 2tbd s TYR 34 Ca 0.25 -0.91 -0.30 0.00 -2.44 0.00 0.00 57.07 53.68 2tbd s TYR 34 Cb -0.15 -1.93 0.10 0.00 0.35 0.00 0.00 41.96 40.32 2tbd s TYR 34 CO 0.10 -0.42 1.33 -0.08 -1.34 0.00 0.00 175.55 175.14 2tbd s THR 35 N 0.84 0.00 0.54 4.34 -1.32 -1.07 -1.44 115.64 117.54 2tbd s THR 35 Ca -0.04 -0.10 -0.18 0.00 -1.21 0.00 0.00 61.69 60.17 2tbd s THR 35 Cb -0.15 -2.92 -0.14 0.00 -1.51 0.00 0.00 72.50 67.78 2tbd s THR 35 CO 0.00 0.00 -0.06 0.35 -2.21 0.00 0.00 174.62 172.70 2tbd n THR 36 N -0.92 0.33 -0.20 5.08 -2.24 -1.26 -2.27 114.28 112.80 2tbd n THR 36 Ca 0.04 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.24 2tbd n THR 36 Cb 0.59 -0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.73 2tbd n THR 36 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2tbd h LYS 37 N -0.04 0.90 0.00 -0.78 2.10 -1.88 -1.38 116.57 115.50 2tbd h LYS 37 Ca -0.42 -0.21 0.00 0.00 -2.00 0.00 0.00 60.65 58.02 2tbd h LYS 37 Cb 1.43 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2tbd h LYS 37 CO 0.42 0.84 0.18 1.49 -2.00 0.00 0.00 179.45 180.37 2tbd h GLU 38 N 0.81 0.00 0.00 0.07 4.57 -1.99 -0.05 114.58 117.99 2tbd h GLU 38 Ca 0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2tbd h GLU 38 Cb 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2tbd h GLU 38 CO 0.00 0.00 -0.26 -0.22 -1.18 0.00 0.00 179.01 177.35 2tbd h LYS 39 N 0.00 0.00 0.00 1.92 3.64 -1.57 -3.23 116.57 117.33 2tbd h LYS 39 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2tbd h LYS 39 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2tbd h LYS 39 CO 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 179.45 177.20 2tbd h ALA 40 N -1.09 1.02 0.00 5.00 0.00 -1.23 -0.23 119.26 122.73 2tbd h ALA 40 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2tbd h ALA 40 Cb 0.26 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2tbd h ALA 40 CO 0.00 -0.02 -0.99 0.00 0.00 0.00 0.00 179.25 178.24 2tbd h ALA 41 N 1.95 0.27 0.00 0.00 0.00 -1.13 -1.00 119.26 119.35 2tbd h ALA 41 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2tbd h ALA 41 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2tbd h ALA 41 CO 0.00 0.76 -0.61 1.37 0.00 0.00 0.00 179.25 180.78 2tbd h LEU 42 N 0.30 0.00 0.00 0.00 8.10 -1.13 -3.28 115.31 119.29 2tbd h LEU 42 Ca -0.10 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.88 2tbd h LEU 42 Cb 1.63 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.85 2tbd h LEU 42 CO 0.18 0.00 -0.84 -0.07 -4.11 0.00 0.00 178.44 173.60 2tbd h LEU 43 N 0.00 0.00 0.00 0.17 3.38 -1.10 -3.27 115.31 114.48 2tbd h LEU 43 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2tbd h LEU 43 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2tbd h LEU 43 CO 0.00 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.60 2tbd n TYR 44 N -2.35 0.00 0.77 1.13 4.19 -0.38 -2.17 117.16 118.35 2tbd n TYR 44 Ca 0.02 0.00 0.07 0.00 3.31 0.00 0.00 57.90 61.29 2tbd n TYR 44 Cb 0.49 -0.31 0.38 0.00 0.49 0.00 0.00 39.34 40.38 2tbd n TYR 44 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 2tbd n LYS 45 N -1.52 0.34 0.05 2.98 5.02 -1.26 -1.96 118.16 121.80 2tbd n LYS 45 Ca 0.00 0.06 -0.02 0.00 -2.02 0.00 0.00 58.31 56.33 2tbd n LYS 45 Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 2tbd n LYS 45 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2tbd h LYS 46 N 0.00 -0.12 0.00 1.97 3.11 -1.49 -3.32 116.57 116.72 2tbd h LYS 46 Ca 0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2tbd h LYS 46 Cb 0.04 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 2tbd h LYS 46 CO 0.00 -0.08 -0.15 -0.89 -2.81 0.00 0.00 179.45 175.52 2tbd n ILE 47 N -2.62 0.08 -0.14 2.00 5.41 -1.06 -3.61 119.36 119.41 2tbd n ILE 47 Ca -0.02 -0.04 0.27 0.00 1.00 0.00 0.00 62.75 63.97 2tbd n ILE 47 Cb 0.05 -0.31 0.60 0.00 -0.71 0.00 0.00 39.64 39.26 2tbd n ILE 47 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 2tbd h MET 48 N 0.00 0.00 0.00 0.38 4.05 -1.49 -0.90 114.93 116.97 2tbd h MET 48 Ca 0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 2tbd h MET 48 Cb 0.54 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 2tbd h MET 48 CO 0.00 0.00 -1.17 -1.91 0.23 0.00 0.00 176.91 174.06 2tbd n GLU 49 N -3.51 0.48 0.33 0.39 0.00 -1.25 -3.17 120.64 113.91 2tbd n GLU 49 Ca 0.19 0.02 0.17 0.00 0.00 0.00 0.00 57.16 57.53 2tbd n GLU 49 Cb 1.22 -1.06 0.90 0.00 0.00 0.00 0.00 31.44 32.50 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2tbd h LYS 50 N 0.00 0.00 0.00 5.31 1.63 -1.46 -2.66 116.57 119.39 2tbd h LYS 50 Ca -0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2tbd h LYS 50 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 2tbd h LYS 50 CO -0.01 0.00 0.00 0.66 -3.45 0.00 0.00 179.45 176.65 2tbd n TYR 51 N -2.89 0.00 -3.96 1.91 4.01 -0.40 -5.01 117.16 110.80 2tbd n TYR 51 Ca -0.02 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.45 2tbd n TYR 51 Cb 0.29 0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.31 2tbd n TYR 51 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2tbd n SER 52 N 0.00 -0.55 -3.27 7.72 7.64 -1.01 -3.87 113.62 120.28 2tbd n SER 52 Ca 0.00 -1.03 -0.47 0.00 1.01 0.00 0.00 58.87 58.38 2tbd n SER 52 Cb 0.40 -2.95 -0.07 0.00 -1.01 0.00 0.00 64.21 60.58 2tbd n SER 52 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2tbd n VAL 53 N -4.41 0.00 0.26 0.44 0.24 -1.23 -4.40 118.33 109.22 2tbd n VAL 53 Ca -0.30 0.00 0.17 0.00 -2.04 0.00 0.00 64.34 62.17 2tbd n VAL 53 Cb 0.68 -0.34 0.91 0.00 -1.47 0.00 0.00 33.84 33.61 2tbd n VAL 53 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2tbd h THR 54 N 3.44 0.39 -0.82 3.34 2.02 -1.81 -3.40 112.91 116.08 2tbd h THR 54 Ca -0.30 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.05 2tbd h THR 54 Cb 0.94 0.89 -0.22 0.00 -1.74 0.00 0.00 68.15 68.03 2tbd h THR 54 CO 0.67 0.00 0.07 0.12 0.37 0.00 0.00 175.52 176.76 2tbd s PHE 55 N -4.54 -0.85 -0.30 3.16 5.36 -1.26 -4.98 117.98 114.58 2tbd s PHE 55 Ca -0.05 1.13 0.00 0.00 -0.96 0.00 0.00 56.93 57.06 2tbd s PHE 55 Cb 0.14 0.38 0.06 0.00 -0.34 0.00 0.00 43.02 43.27 2tbd s PHE 55 CO 0.51 -0.45 -0.02 -1.50 -1.46 0.00 0.00 175.22 172.30 2tbd s ILE 56 N 2.74 2.65 0.27 3.12 2.07 -1.21 -2.43 121.20 128.41 2tbd s ILE 56 Ca 0.03 -1.61 0.10 0.00 -1.41 0.00 0.00 60.65 57.76 2tbd s ILE 56 Cb -0.10 -2.59 -0.05 0.00 0.13 0.00 0.00 42.46 39.85 2tbd s ILE 56 CO -0.16 -0.16 -0.15 -0.55 -1.91 0.00 0.00 174.94 172.01 2tbd s SER 57 N 1.21 3.22 -0.14 4.50 0.15 -1.00 -2.88 113.70 118.75 2tbd s SER 57 Ca -0.04 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.54 2tbd s SER 57 Cb -0.20 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 63.89 2tbd s SER 57 CO -0.03 -0.10 -0.13 -0.60 1.20 0.00 0.00 173.24 173.57 2tbd s ARG 58 N -3.59 2.15 0.40 5.44 3.52 -0.93 -1.27 118.95 124.68 2tbd s ARG 58 Ca 0.28 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.39 2tbd s ARG 58 Cb -0.02 -1.99 0.01 0.00 -1.56 0.00 0.00 34.95 31.39 2tbd s ARG 58 CO 0.12 -0.23 0.07 0.72 -0.81 0.00 0.00 175.30 175.18 2tbd n HIS 59 N 4.75 0.55 -5.23 5.12 8.25 -0.98 -2.11 115.22 125.57 2tbd n HIS 59 Ca -0.16 -1.93 -0.31 0.00 -0.26 0.00 0.00 57.72 55.06 2tbd n HIS 59 Cb 0.50 -0.28 -0.16 0.00 1.12 0.00 0.00 29.99 31.17 2tbd n HIS 59 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2tbd s ASN 60 N -3.25 3.22 0.00 0.41 0.01 -1.01 -1.45 114.94 112.86 2tbd s ASN 60 Ca 0.05 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.77 2tbd s ASN 60 Cb -0.00 -0.52 0.00 0.00 0.41 0.00 0.00 41.25 41.14 2tbd s ASN 60 CO 0.03 0.31 0.00 -1.54 -1.51 0.00 0.00 177.10 174.39 2tbd n SER 61 N 2.52 0.00 0.00 -1.22 3.41 -1.02 -1.43 113.62 115.88 2tbd n SER 61 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2tbd n SER 61 Cb 0.51 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2tbd n SER 61 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2tbd n TYR 62 N -2.08 -0.66 0.00 7.33 4.02 -1.26 -4.67 117.16 119.84 2tbd n TYR 62 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2tbd n TYR 62 Cb 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 2tbd n TYR 62 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2tbd n ASN 63 N -1.86 3.40 -0.34 7.72 3.02 -1.26 -5.02 115.26 120.92 2tbd n ASN 63 Ca 0.00 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2tbd n ASN 63 Cb 0.00 0.84 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 2tbd n ASN 63 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2tbd n HIS 64 N -1.18 -0.06 -4.41 3.10 8.25 -1.26 -4.84 115.22 114.82 2tbd n HIS 64 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 2tbd n HIS 64 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 2tbd n HIS 64 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2tbd s ASN 65 N 0.44 4.06 0.27 0.41 0.02 -0.96 -2.42 114.94 116.76 2tbd s ASN 65 Ca 0.00 -1.16 0.07 0.00 -1.02 0.00 0.00 52.86 50.75 2tbd s ASN 65 Cb 0.00 -0.45 -0.04 0.00 0.02 0.00 0.00 41.25 40.79 2tbd s ASN 65 CO 0.00 -0.36 0.19 -0.63 0.02 0.00 0.00 177.10 176.32 2tbd s ILE 66 N -2.61 4.12 -0.32 0.60 -1.09 -0.53 -2.58 121.20 118.78 2tbd s ILE 66 Ca 0.36 -1.47 -0.01 0.00 -2.23 0.00 0.00 60.65 57.30 2tbd s ILE 66 Cb 0.04 -3.28 0.11 0.00 -1.58 0.00 0.00 42.46 37.75 2tbd s ILE 66 CO 0.19 -0.32 0.14 -0.22 -1.23 0.00 0.00 174.94 173.50 2tbd s LEU 67 N -3.85 1.61 -1.32 2.97 2.96 0.68 -2.32 118.68 119.41 2tbd s LEU 67 Ca 0.34 -1.70 -0.17 0.00 -0.22 0.00 0.00 54.13 52.38 2tbd s LEU 67 Cb -0.07 -0.67 0.06 0.00 0.50 0.00 0.00 46.19 46.01 2tbd s LEU 67 CO 0.25 -0.39 1.83 0.49 -1.32 0.00 0.00 176.35 177.20 2tbd n PHE 68 N 4.74 4.41 -3.45 5.38 3.72 -0.40 -1.84 117.46 130.02 2tbd n PHE 68 Ca -0.00 -2.82 -0.43 0.00 -0.05 0.00 0.00 57.45 54.14 2tbd n PHE 68 Cb 0.41 -2.62 -0.08 0.00 -0.94 0.00 0.00 39.48 36.25 2tbd n PHE 68 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 2tbd s PHE 69 N 4.25 3.29 0.19 1.38 -0.12 -0.75 -2.37 117.98 123.85 2tbd s PHE 69 Ca 0.53 -1.29 -0.02 0.00 -0.05 0.00 0.00 56.93 56.10 2tbd s PHE 69 Cb 0.06 -3.31 0.04 0.00 -0.63 0.00 0.00 43.02 39.18 2tbd s PHE 69 CO 0.05 -0.89 0.26 1.28 -0.05 0.00 0.00 175.22 175.87 2tbd n LEU 70 N 5.10 0.00 -3.51 -1.99 4.32 -1.02 -2.28 117.00 117.62 2tbd n LEU 70 Ca -0.12 -0.41 -0.17 0.00 -0.02 0.00 0.00 56.01 55.30 2tbd n LEU 70 Cb 0.42 -0.18 -0.05 0.00 -1.62 0.00 0.00 43.42 41.98 2tbd n LEU 70 CO 0.46 -0.66 0.42 0.42 -1.22 0.00 0.00 177.39 176.81 2tbd s THR 71 N -1.03 0.00 0.00 -5.08 -4.23 0.64 -3.56 115.64 102.38 2tbd s THR 71 Ca 0.16 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 2tbd s THR 71 Cb -0.01 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2tbd s THR 71 CO 0.11 -0.01 0.04 -0.81 -0.54 0.00 0.00 174.62 173.41 2tbd n PRO 72 N 0.71 0.00 -0.61 3.99 -0.04 -1.25 -4.67 135.00 133.13 2tbd n PRO 72 Ca -0.19 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.03 2tbd n PRO 72 Cb 0.58 -0.33 0.15 0.00 -0.04 0.00 0.00 33.50 33.86 2tbd n PRO 72 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2tbd n HIS 73 N -0.24 -1.98 -4.02 0.54 1.44 -1.26 -4.94 115.22 104.77 2tbd n HIS 73 Ca 0.00 0.09 -0.34 0.00 -2.01 0.00 0.00 57.72 55.45 2tbd n HIS 73 Cb 0.00 -1.44 -0.06 0.00 0.12 0.00 0.00 29.99 28.61 2tbd n HIS 73 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2tbd s ARG 74 N -3.34 3.26 -0.18 -1.40 3.00 -1.26 -4.74 118.95 114.28 2tbd s ARG 74 Ca 0.42 -0.33 -0.16 0.00 0.00 0.00 0.00 55.73 55.66 2tbd s ARG 74 Cb -0.06 -3.01 0.05 0.00 0.00 0.00 0.00 34.95 31.93 2tbd s ARG 74 CO 0.46 0.70 0.48 -3.38 0.00 0.00 0.00 175.30 173.56 2tbd s HIS 75 N -1.15 -0.55 0.28 -0.53 -3.43 -1.23 -4.94 115.29 103.74 2tbd s HIS 75 Ca 0.21 1.31 -0.30 0.00 -0.80 0.00 0.00 55.06 55.48 2tbd s HIS 75 Cb -0.12 0.20 -0.12 0.00 -1.43 0.00 0.00 32.58 31.11 2tbd s HIS 75 CO 0.11 -0.27 1.63 0.54 -2.00 0.00 0.00 174.74 174.76 2tbd n ARG 76 N 2.93 2.74 0.02 -0.38 1.74 -1.26 -0.97 116.66 121.48 2tbd n ARG 76 Ca -0.14 0.98 0.06 0.00 -0.77 0.00 0.00 57.85 57.98 2tbd n ARG 76 Cb 0.57 -2.78 0.26 0.00 -1.02 0.00 0.00 32.46 29.49 2tbd n ARG 76 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2tbd n VAL 77 N 2.56 1.23 0.09 1.55 0.31 -1.26 -0.52 118.33 122.29 2tbd n VAL 77 Ca 0.10 0.33 -0.06 0.00 -0.01 0.00 0.00 64.34 64.70 2tbd n VAL 77 Cb 0.36 -1.17 0.01 0.00 -0.91 0.00 0.00 33.84 32.14 2tbd n VAL 77 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2tbd h SER 78 N 0.00 0.12 0.48 4.52 0.87 -1.75 0.30 113.55 118.09 2tbd h SER 78 Ca 0.00 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 2tbd h SER 78 Cb 0.19 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2tbd h SER 78 CO 0.00 0.90 -0.23 0.00 -0.53 0.00 0.00 176.83 176.97 2tbd h ALA 79 N 1.09 -0.65 0.00 6.23 0.00 -1.10 -2.95 119.26 121.88 2tbd h ALA 79 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2tbd h ALA 79 Cb 1.46 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2tbd h ALA 79 CO 0.12 -0.63 0.00 0.82 0.00 0.00 0.00 179.25 179.56 2tbd h ILE 80 N -1.12 0.00 -0.65 0.00 2.04 -1.58 -0.62 117.51 115.58 2tbd h ILE 80 Ca -0.07 -0.35 0.12 0.00 1.00 0.00 0.00 64.86 65.56 2tbd h ILE 80 Cb 0.55 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 2tbd h ILE 80 CO 0.11 0.00 0.44 -1.13 0.00 0.00 0.00 178.15 177.57 2tbd h ASN 81 N 0.00 0.37 -0.76 1.72 -0.00 -0.22 0.61 115.58 117.30 2tbd h ASN 81 Ca 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 56.30 56.26 2tbd h ASN 81 Cb 0.36 -0.06 -0.03 0.00 -0.00 0.00 0.00 38.32 38.59 2tbd h ASN 81 CO 0.00 0.21 0.28 0.78 -0.00 0.00 0.00 177.43 178.70 2tbd h ASN 82 N 0.40 1.08 0.02 1.15 2.35 -1.01 0.15 115.58 119.71 2tbd h ASN 82 Ca 0.31 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2tbd h ASN 82 Cb 0.66 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 2tbd h ASN 82 CO -0.09 0.97 -0.01 0.22 -1.65 0.00 0.00 177.43 176.87 2tbd h TYR 83 N 1.12 -0.04 0.00 1.19 5.03 0.14 -0.34 116.97 124.06 2tbd h TYR 83 Ca 0.25 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.56 2tbd h TYR 83 Cb 0.26 0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.55 2tbd h TYR 83 CO 0.02 -0.02 0.02 0.00 -1.32 0.00 0.00 178.16 176.87 2tbd n ALA 84 N -2.20 0.96 0.05 1.82 0.00 -0.93 -1.68 120.51 118.53 2tbd n ALA 84 Ca -0.00 0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 2tbd n ALA 84 Cb 0.01 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 2tbd n ALA 84 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2tbd h GLN 85 N 0.00 0.25 0.00 0.00 5.75 0.46 -3.27 115.11 118.30 2tbd h GLN 85 Ca 0.00 -0.43 0.00 0.00 -0.15 0.00 0.00 58.65 58.07 2tbd h GLN 85 Cb 0.05 0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.76 2tbd h GLN 85 CO 0.00 1.11 0.00 1.63 -2.65 0.00 0.00 178.83 178.92 2tbd n LYS 86 N -3.45 0.10 -2.08 1.69 5.02 -0.25 -3.04 118.16 116.15 2tbd n LYS 86 Ca -0.18 0.36 -0.40 0.00 -2.02 0.00 0.00 58.31 56.07 2tbd n LYS 86 Cb 1.05 -1.70 0.03 0.00 -0.02 0.00 0.00 35.03 34.40 2tbd n LYS 86 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2tbd n LEU 87 N -1.88 7.37 -0.72 -0.35 4.77 -1.23 -4.41 117.00 120.55 2tbd n LEU 87 Ca 0.02 -4.96 0.04 0.00 -0.03 0.00 0.00 56.01 51.09 2tbd n LEU 87 Cb 0.19 -1.06 0.08 0.00 -2.33 0.00 0.00 43.42 40.29 2tbd n LEU 87 CO 0.16 1.84 0.28 0.00 -1.33 0.00 0.00 177.39 178.34 2tbd n THR 89 N -0.39 2.62 0.00 0.00 -2.24 -1.26 -4.16 114.28 108.85 2tbd n THR 89 Ca 0.09 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 2tbd n THR 89 Cb 0.82 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 2tbd n THR 89 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2tbd n PHE 90 N -0.66 0.00 -4.05 4.78 -1.74 -1.26 -5.14 117.46 109.39 2tbd n PHE 90 Ca 0.43 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 57.20 2tbd n PHE 90 Cb 1.30 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 42.26 2tbd n PHE 90 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 2tbd s SER 91 N -2.64 0.55 1.19 5.98 0.01 -1.26 -5.15 113.70 112.38 2tbd s SER 91 Ca 0.00 -1.31 -0.17 0.00 1.31 0.00 0.00 55.95 55.77 2tbd s SER 91 Cb 0.00 0.65 0.22 0.00 0.21 0.00 0.00 66.02 67.09 2tbd s SER 91 CO 0.00 -1.27 0.47 2.22 0.41 0.00 0.00 173.24 175.07 2tbd n PHE 92 N -0.50 -1.86 -3.37 2.43 -1.74 -1.26 -4.74 117.46 106.42 2tbd n PHE 92 Ca -0.00 -0.12 -0.03 0.00 -0.56 0.00 0.00 57.45 56.74 2tbd n PHE 92 Cb 0.62 -1.54 -0.05 0.00 1.52 0.00 0.00 39.48 40.02 2tbd n PHE 92 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2tbd s LEU 93 N -3.92 -1.01 -0.81 5.98 2.96 -1.26 -4.53 118.68 116.09 2tbd s LEU 93 Ca 0.59 0.81 0.02 0.00 -0.22 0.00 0.00 54.13 55.33 2tbd s LEU 93 Cb -0.15 1.75 0.24 0.00 0.50 0.00 0.00 46.19 48.53 2tbd s LEU 93 CO 0.61 -0.26 0.87 -0.38 -1.32 0.00 0.00 176.35 175.86 2tbd n ILE 94 N 5.41 3.03 -2.73 6.68 5.41 -0.52 -5.05 119.36 131.59 2tbd n ILE 94 Ca -0.05 -5.29 -0.40 0.00 1.00 0.00 0.00 62.75 58.01 2tbd n ILE 94 Cb 0.50 -2.19 -0.05 0.00 -0.71 0.00 0.00 39.64 37.19 2tbd n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2tbd s LYS 96 N -0.83 1.66 0.45 0.00 2.20 -0.81 -4.91 119.74 117.50 2tbd s LYS 96 Ca 0.43 -1.36 0.06 0.00 -0.36 0.00 0.00 55.97 54.74 2tbd s LYS 96 Cb -0.25 0.48 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 2tbd s LYS 96 CO 0.32 -0.70 0.21 0.20 -0.36 0.00 0.00 175.35 175.02 2tbd s GLY 97 N -3.06 2.40 -0.03 5.54 0.00 -1.26 -0.29 107.32 110.62 2tbd s GLY 97 Ca 0.24 -1.78 0.02 0.00 0.00 0.00 0.00 44.72 43.20 2tbd s GLY 97 CO 0.11 -1.94 -0.08 0.14 0.00 0.00 0.00 173.10 171.34 2tbd s VAL 98 N -2.65 0.70 -0.45 1.40 1.01 -1.07 -3.98 120.40 115.36 2tbd s VAL 98 Ca 0.37 -0.30 0.23 0.00 0.00 0.00 0.00 61.98 62.27 2tbd s VAL 98 Cb 0.02 -0.64 -0.11 0.00 0.00 0.00 0.00 36.38 35.66 2tbd s VAL 98 CO 0.21 0.23 0.98 0.59 0.00 0.00 0.00 175.10 177.10 2tbd n ASN 99 N 3.38 0.59 -3.27 3.32 4.13 -1.26 -4.45 115.26 117.71 2tbd n ASN 99 Ca -0.19 -0.04 -0.25 0.00 1.68 0.00 0.00 54.58 55.78 2tbd n ASN 99 Cb 0.54 0.83 -0.07 0.00 -1.54 0.00 0.00 39.78 39.54 2tbd n ASN 99 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2tbd n LYS 100 N -2.17 1.81 0.00 3.52 5.02 -1.26 -4.99 118.16 120.09 2tbd n LYS 100 Ca 0.01 -4.05 0.00 0.00 -2.02 0.00 0.00 58.31 52.24 2tbd n LYS 100 Cb 0.48 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2tbd n LYS 100 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2tbd n GLU 101 N 0.89 0.00 0.00 1.97 4.71 -1.26 -1.65 120.64 125.30 2tbd n GLU 101 Ca 0.26 0.97 0.00 0.00 -0.01 0.00 0.00 57.16 58.39 2tbd n GLU 101 Cb 0.47 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 29.44 2tbd n GLU 101 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 2tbd n TYR 102 N -2.97 0.00 -0.14 -0.32 4.19 -1.26 -0.14 117.16 116.52 2tbd n TYR 102 Ca 0.00 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.17 2tbd n TYR 102 Cb 0.00 -0.27 0.03 0.00 0.49 0.00 0.00 39.34 39.58 2tbd n TYR 102 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 2tbd h LEU 103 N 0.00 -0.50 -0.89 2.98 3.38 -1.90 -0.74 115.31 117.64 2tbd h LEU 103 Ca 0.00 0.15 0.20 0.00 0.09 0.00 0.00 57.88 58.31 2tbd h LEU 103 Cb 0.00 0.31 -0.17 0.00 0.09 0.00 0.00 40.66 40.89 2tbd h LEU 103 CO 0.00 -0.17 -0.14 -0.03 0.09 0.00 0.00 178.44 178.18 2tbd h MET 104 N -0.03 0.02 0.00 1.13 4.05 0.41 0.64 114.93 121.15 2tbd h MET 104 Ca 0.22 -0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.50 2tbd h MET 104 Cb 0.37 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 2tbd h MET 104 CO -0.49 0.01 -0.65 -0.92 0.23 0.00 0.00 176.91 175.09 2tbd h TYR 105 N 0.02 0.00 0.92 1.39 5.03 -0.66 -2.55 116.97 121.11 2tbd h TYR 105 Ca 0.46 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.72 2tbd h TYR 105 Cb 0.77 0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.06 2tbd h TYR 105 CO -0.62 0.65 -0.44 1.03 -1.32 0.00 0.00 178.16 177.46 2tbd h SER 106 N 0.00 -1.05 -0.65 -2.11 0.87 0.16 -0.74 113.55 110.04 2tbd h SER 106 Ca -0.01 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2tbd h SER 106 Cb 1.31 0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 63.50 2tbd h SER 106 CO 0.09 -0.73 0.41 0.00 -0.53 0.00 0.00 176.83 176.06 2tbd h ALA 107 N -1.39 1.49 0.00 6.23 0.00 -1.34 -0.73 119.26 123.52 2tbd h ALA 107 Ca -0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2tbd h ALA 107 Cb 0.95 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2tbd h ALA 107 CO 0.21 0.46 -0.06 -0.07 0.00 0.00 0.00 179.25 179.78 2tbd h LEU 108 N 0.90 0.00 -0.06 0.00 3.38 -1.21 -0.70 115.31 117.62 2tbd h LEU 108 Ca 0.24 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 2tbd h LEU 108 Cb -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2tbd h LEU 108 CO -0.05 0.06 -0.68 0.71 0.09 0.00 0.00 178.44 178.57 2tbd h THR 109 N 0.00 1.19 -3.32 0.22 1.35 0.36 -3.35 112.91 109.36 2tbd h THR 109 Ca -0.00 -2.64 -0.57 0.00 -0.55 0.00 0.00 66.41 62.66 2tbd h THR 109 Cb 0.11 2.56 -0.06 0.00 -1.73 0.00 0.00 68.15 69.03 2tbd h THR 109 CO 0.01 0.67 -0.01 -0.13 -0.25 0.00 0.00 175.52 175.80 2tbd s ARG 110 N -2.91 4.35 0.97 4.72 0.52 -0.27 -4.83 118.95 121.50 2tbd s ARG 110 Ca 0.03 0.71 -0.16 0.00 -0.52 0.00 0.00 55.73 55.79 2tbd s ARG 110 Cb 0.09 -3.38 -0.10 0.00 0.52 0.00 0.00 34.95 32.07 2tbd s ARG 110 CO 0.77 0.26 -0.44 -0.40 0.02 0.00 0.00 175.30 175.51 2tbd n ASP 111 N 3.16 -4.83 -0.29 0.23 5.68 -1.26 -2.30 116.55 116.94 2tbd n ASP 111 Ca -0.06 0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 2tbd n ASP 111 Cb 0.51 -0.89 0.01 0.00 -1.14 0.00 0.00 41.12 39.61 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 2tbd n PRO 112 N 1.27 1.11 -2.80 0.11 -0.04 -1.26 -5.01 135.00 128.38 2tbd n PRO 112 Ca 0.01 -0.11 -0.43 0.00 -0.04 0.00 0.00 63.50 62.93 2tbd n PRO 112 Cb 0.55 -1.26 -0.04 0.00 -0.04 0.00 0.00 33.50 32.72 2tbd n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2tbd s PHE 113 N -1.55 3.05 0.02 0.54 0.08 -0.97 -4.78 117.98 114.38 2tbd s PHE 113 Ca 0.02 0.73 -0.00 0.00 0.12 0.00 0.00 56.93 57.79 2tbd s PHE 113 Cb 0.01 -3.72 0.01 0.00 -0.57 0.00 0.00 43.02 38.75 2tbd s PHE 113 CO 0.01 -0.88 0.03 0.43 -0.10 0.00 0.00 175.22 174.71 2tbd n SER 114 N 6.87 0.02 -3.93 1.36 7.64 -0.52 -4.17 113.62 120.89 2tbd n SER 114 Ca 0.07 -1.02 -0.12 0.00 1.01 0.00 0.00 58.87 58.81 2tbd n SER 114 Cb 0.48 -0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.53 2tbd n SER 114 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2tbd s VAL 115 N -0.53 0.16 0.00 0.44 1.01 -1.26 -2.41 120.40 117.81 2tbd s VAL 115 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2tbd s VAL 115 Cb -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.18 2tbd s VAL 115 CO 0.01 -0.15 0.00 -0.38 0.00 0.00 0.00 175.10 174.58 2tbd n ILE 116 N 2.49 0.00 -4.08 2.22 5.41 -0.90 -4.80 119.36 119.72 2tbd n ILE 116 Ca -0.16 0.20 -0.11 0.00 1.00 0.00 0.00 62.75 63.67 2tbd n ILE 116 Cb 0.58 -1.17 -0.04 0.00 -0.71 0.00 0.00 39.64 38.30 2tbd n ILE 116 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2tbd n GLU 117 N -2.39 0.33 0.00 0.38 1.02 -0.99 -5.03 120.64 113.96 2tbd n GLU 117 Ca 0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 57.16 55.13 2tbd n GLU 117 Cb 0.00 1.75 0.00 0.00 -0.02 0.00 0.00 31.44 33.17 2tbd n GLU 117 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2tbd n GLU 118 N -0.39 0.00 0.24 3.49 0.28 -1.26 -2.18 120.64 120.81 2tbd n GLU 118 Ca 0.03 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.15 2tbd n GLU 118 Cb 0.38 0.00 0.56 0.00 1.43 0.00 0.00 31.44 33.81 2tbd n GLU 118 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2tbd h SER 119 N 0.00 0.00 -2.94 -1.84 4.64 -1.93 -3.42 113.55 108.05 2tbd h SER 119 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 2tbd h SER 119 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 2tbd h SER 119 CO 0.00 0.18 -0.27 -0.76 -0.87 0.00 0.00 176.83 175.11 2tbd s LEU 120 N -6.85 4.44 0.00 5.97 1.43 -1.26 -4.96 118.68 117.45 2tbd s LEU 120 Ca -0.00 0.83 0.27 0.00 -1.03 0.00 0.00 54.13 54.20 2tbd s LEU 120 Cb 0.11 -2.52 1.63 0.00 0.03 0.00 0.00 46.19 45.44 2tbd s LEU 120 CO 0.61 0.33 2.00 -0.81 0.23 0.00 0.00 176.35 178.71 2tbd n PRO 121 N 1.74 0.92 -2.72 1.29 -0.04 -1.26 -4.17 135.00 130.76 2tbd n PRO 121 Ca -0.15 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.24 2tbd n PRO 121 Cb 0.53 -1.46 0.07 0.00 -0.04 0.00 0.00 33.50 32.60 2tbd n PRO 121 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2tbd n GLY 122 N 0.81 -0.13 7.00 0.55 0.00 -1.26 -5.09 105.19 107.06 2tbd n GLY 122 Ca 0.20 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2tbd n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tbd n GLY 123 N 1.04 1.84 0.00 -0.02 0.00 -1.26 -4.61 105.19 102.17 2tbd n GLY 123 Ca 0.05 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2tbd n GLY 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2tbd n LEU 124 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.74 117.00 116.76 2tbd n LEU 124 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2tbd n LEU 124 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2tbd n LEU 124 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.23 2tbd n LYS 125 N 0.00 -0.00 0.15 3.23 0.00 -1.26 -4.96 118.16 115.32 2tbd n LYS 125 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 58.31 58.44 2tbd n LYS 125 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 35.03 35.35 2tbd n LYS 125 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2tbd h GLU 126 N 0.00 0.00 -0.00 1.64 3.07 -2.00 -1.78 114.58 115.51 2tbd h GLU 126 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2tbd h GLU 126 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2tbd h GLU 126 CO 0.00 0.00 -0.18 -2.39 -1.40 0.00 0.00 179.01 175.04 2tbd n HIS 127 N -2.58 0.00 -0.03 4.33 1.44 -1.26 -4.01 115.22 113.11 2tbd n HIS 127 Ca 0.05 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.72 2tbd n HIS 127 Cb 0.46 -0.32 -0.04 0.00 0.12 0.00 0.00 29.99 30.22 2tbd n HIS 127 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2tbd n ASP 128 N -1.32 3.56 -4.74 4.39 2.03 -1.15 -5.03 116.55 114.29 2tbd n ASP 128 Ca 0.09 -0.02 -0.29 0.00 0.52 0.00 0.00 54.79 55.09 2tbd n ASP 128 Cb 0.32 0.18 0.11 0.00 -0.72 0.00 0.00 41.12 41.00 2tbd n ASP 128 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2tbd s PHE 129 N -2.13 2.66 -0.38 -0.67 0.08 -0.68 -4.97 117.98 111.89 2tbd s PHE 129 Ca -0.07 0.66 0.11 0.00 0.12 0.00 0.00 56.93 57.75 2tbd s PHE 129 Cb 0.02 -3.63 0.33 0.00 -0.57 0.00 0.00 43.02 39.17 2tbd s PHE 129 CO 0.18 -1.97 0.69 0.27 -0.10 0.00 0.00 175.22 174.29 2tbd n ASN 130 N -3.42 0.82 -4.85 1.36 0.23 -1.26 -4.88 115.26 103.26 2tbd n ASN 130 Ca 0.09 -2.97 -0.29 0.00 -0.53 0.00 0.00 54.58 50.89 2tbd n ASN 130 Cb 0.61 -0.62 0.10 0.00 -2.08 0.00 0.00 39.78 37.78 2tbd n ASN 130 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2tbd s PRO 131 N -2.20 1.81 -0.25 -0.53 0.04 -1.26 -5.10 135.00 127.52 2tbd s PRO 131 Ca 0.39 0.25 -0.17 0.00 0.04 0.00 0.00 61.00 61.52 2tbd s PRO 131 Cb 0.31 -1.92 0.07 0.00 0.04 0.00 0.00 34.50 33.00 2tbd s PRO 131 CO -0.09 -1.73 0.63 -1.83 0.04 0.00 0.00 177.00 174.02 2tbd s GLU 132 N -5.43 0.67 0.31 4.56 4.04 -1.26 -5.13 118.70 116.46 2tbd s GLU 132 Ca 0.62 1.06 0.00 0.00 0.04 0.00 0.00 54.97 56.69 2tbd s GLU 132 Cb -0.12 0.17 0.00 0.00 0.02 0.00 0.00 34.13 34.20 2tbd s GLU 132 CO 0.51 -0.13 0.00 0.43 -1.84 0.00 0.00 175.26 174.23 2tbd n SER 133 N 3.86 -7.85 0.00 0.83 7.64 -1.26 -5.37 113.62 111.47 2tbd n SER 133 Ca -0.19 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.23 2tbd n SER 133 Cb 0.57 -4.06 0.00 0.00 -1.01 0.00 0.00 64.21 59.71 2tbd n SER 133 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79