#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 0.20 0.18 1.61 0.15 -1.26 -5.15 113.70 109.44 2tbd s SER 2 Ca 0.00 -1.34 -0.18 0.00 0.70 0.00 0.00 55.95 55.13 2tbd s SER 2 Cb 0.00 0.36 -0.08 0.00 -1.71 0.00 0.00 66.02 64.59 2tbd s SER 2 CO 0.00 -0.81 0.64 -0.54 1.20 0.00 0.00 173.24 173.74 2tbd s LYS 3 N -4.13 4.15 -0.67 5.44 3.01 -1.26 -4.92 119.74 121.37 2tbd s LYS 3 Ca 0.35 0.71 -0.37 0.00 -1.01 0.00 0.00 55.97 55.66 2tbd s LYS 3 Cb 0.07 -2.93 -0.18 0.00 -1.01 0.00 0.00 37.83 33.78 2tbd s LYS 3 CO 0.09 0.45 2.38 0.28 0.51 0.00 0.00 175.35 179.06 2tbd n VAL 4 N 0.85 0.02 -2.70 3.17 0.31 -1.26 -4.86 118.33 113.86 2tbd n VAL 4 Ca -0.04 -0.09 -0.37 0.00 -0.01 0.00 0.00 64.34 63.83 2tbd n VAL 4 Cb 0.51 -0.83 -0.06 0.00 -0.91 0.00 0.00 33.84 32.56 2tbd n VAL 4 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2tbd s GLU 5 N 7.33 4.45 0.03 5.55 2.12 -1.26 -5.02 118.70 131.90 2tbd s GLU 5 Ca 1.23 1.39 -0.19 0.00 0.36 0.00 0.00 54.97 57.76 2tbd s GLU 5 Cb -1.22 -2.71 -0.06 0.00 0.26 0.00 0.00 34.13 30.39 2tbd s GLU 5 CO 0.54 0.14 0.57 -0.51 -0.54 0.00 0.00 175.26 175.46 2tbd s ASP 6 N -1.59 7.00 -0.15 -1.70 1.01 -1.26 -4.94 116.67 115.03 2tbd s ASP 6 Ca 0.53 1.19 -0.29 0.00 0.71 0.00 0.00 52.55 54.69 2tbd s ASP 6 Cb -0.20 -2.35 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 2tbd s ASP 6 CO 0.25 0.21 1.08 -2.16 0.21 0.00 0.00 175.17 174.76 2tbd s PRO 7 N -0.72 4.33 -0.06 8.23 0.04 -1.26 -4.91 135.00 140.64 2tbd s PRO 7 Ca 0.29 1.46 0.12 0.00 0.04 0.00 0.00 61.00 62.91 2tbd s PRO 7 Cb -0.19 -3.61 0.46 0.00 0.04 0.00 0.00 34.50 31.20 2tbd s PRO 7 CO 0.18 -0.50 1.32 1.63 0.04 0.00 0.00 177.00 179.66 2tbd n LYS 8 N 5.73 2.68 -3.35 4.56 4.01 -1.26 -4.95 118.16 125.58 2tbd n LYS 8 Ca 0.11 -1.81 0.00 0.00 -0.51 0.00 0.00 58.31 56.10 2tbd n LYS 8 Cb 0.47 -1.63 0.00 0.00 -0.51 0.00 0.00 35.03 33.36 2tbd n LYS 8 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2tbd n ASP 9 N 0.66 0.00 -4.81 4.39 5.68 -1.26 -5.05 116.55 116.16 2tbd n ASP 9 Ca 0.16 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 54.15 2tbd n ASP 9 Cb 0.59 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.64 2tbd n ASP 9 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2tbd s PHE 10 N -2.77 2.98 0.51 2.11 0.40 -1.26 -5.03 117.98 114.92 2tbd s PHE 10 Ca 0.00 1.33 -0.18 0.00 -0.60 0.00 0.00 56.93 57.49 2tbd s PHE 10 Cb 0.00 -2.97 -0.08 0.00 0.51 0.00 0.00 43.02 40.48 2tbd s PHE 10 CO 0.00 -1.46 1.00 -1.25 0.70 0.00 0.00 175.22 174.21 2tbd s PRO 11 N -5.07 3.84 0.41 0.24 0.04 -1.26 -4.91 135.00 128.29 2tbd s PRO 11 Ca 0.59 1.09 0.17 0.00 0.04 0.00 0.00 61.00 62.89 2tbd s PRO 11 Cb -0.14 -2.11 0.91 0.00 0.04 0.00 0.00 34.50 33.19 2tbd s PRO 11 CO 0.55 -0.37 1.88 0.66 0.04 0.00 0.00 177.00 179.76 2tbd h SER 12 N 1.06 0.00 0.53 6.66 4.64 -1.96 -0.94 113.55 123.53 2tbd h SER 12 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2tbd h SER 12 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2tbd h SER 12 CO 0.60 0.29 0.00 1.21 -0.87 0.00 0.00 176.83 178.07 2tbd n GLU 13 N -3.92 0.00 0.00 4.77 4.07 -1.26 -2.39 120.64 121.92 2tbd n GLU 13 Ca -0.02 0.24 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 2tbd n GLU 13 Cb 0.37 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.24 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 -1.52 1.19 -1.34 4.31 7.94 -0.58 -4.65 117.00 122.35 2tbd n LEU 14 Ca 0.04 -1.19 -0.01 0.00 -1.11 0.00 0.00 56.01 53.73 2tbd n LEU 14 Cb 0.18 0.00 0.18 0.00 0.53 0.00 0.00 43.42 44.31 2tbd n LEU 14 CO 0.14 0.30 0.67 0.18 -1.11 0.00 0.00 177.39 177.57 2tbd n LEU 15 N -0.20 3.89 -0.19 -1.96 4.77 -0.46 -4.00 117.00 118.85 2tbd n LEU 15 Ca 0.00 -2.00 0.14 0.00 -0.03 0.00 0.00 56.01 54.13 2tbd n LEU 15 Cb 0.17 -0.62 0.60 0.00 -2.33 0.00 0.00 43.42 41.24 2tbd n LEU 15 CO 0.00 0.54 0.86 -1.20 -1.33 0.00 0.00 177.39 176.26 2tbd n SER 16 N 0.14 0.69 -2.75 -1.43 7.64 -1.26 -4.43 113.62 112.22 2tbd n SER 16 Ca 0.19 -0.84 -0.08 0.00 1.01 0.00 0.00 58.87 59.16 2tbd n SER 16 Cb 0.85 -0.02 0.05 0.00 -1.01 0.00 0.00 64.21 64.08 2tbd n SER 16 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2tbd n PHE 17 N -0.71 -3.39 -4.39 1.43 1.16 -1.26 -5.04 117.46 105.27 2tbd n PHE 17 Ca 0.16 -1.71 -0.19 0.00 -1.87 0.00 0.00 57.45 53.84 2tbd n PHE 17 Cb 0.28 1.56 -0.05 0.00 -1.61 0.00 0.00 39.48 39.66 2tbd n PHE 17 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 2tbd n LEU 18 N 1.76 0.00 -0.08 5.98 7.94 -1.26 -3.93 117.00 127.41 2tbd n LEU 18 Ca 0.10 -2.24 -0.11 0.00 -1.11 0.00 0.00 56.01 52.65 2tbd n LEU 18 Cb 0.62 0.66 -0.15 0.00 0.53 0.00 0.00 43.42 45.08 2tbd n LEU 18 CO 0.03 -0.34 -1.00 -1.54 -1.11 0.00 0.00 177.39 173.43 2tbd n SER 19 N -1.60 0.45 -3.63 1.96 3.41 -1.24 -4.51 113.62 108.45 2tbd n SER 19 Ca -0.06 0.10 -0.23 0.00 -0.26 0.00 0.00 58.87 58.42 2tbd n SER 19 Cb 0.44 0.56 0.07 0.00 -0.26 0.00 0.00 64.21 65.02 2tbd n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2tbd n HIS 20 N -2.89 -2.52 -3.65 7.33 8.25 -1.26 -4.96 115.22 115.52 2tbd n HIS 20 Ca -0.30 0.96 -0.02 0.00 -0.26 0.00 0.00 57.72 58.10 2tbd n HIS 20 Cb 1.12 -4.80 -0.07 0.00 1.12 0.00 0.00 29.99 27.36 2tbd n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2tbd s ALA 21 N -3.36 -2.35 -0.14 -1.41 0.00 -1.26 -5.04 121.76 108.19 2tbd s ALA 21 Ca 0.40 1.97 0.17 0.00 0.00 0.00 0.00 51.96 54.50 2tbd s ALA 21 Cb -0.18 -1.77 -0.24 0.00 0.00 0.00 0.00 23.12 20.92 2tbd s ALA 21 CO 0.76 -0.27 0.14 0.28 0.00 0.00 0.00 175.76 176.67 2tbd n VAL 22 N 2.81 0.96 -2.45 0.00 0.31 -1.26 -4.52 118.33 114.19 2tbd n VAL 22 Ca -0.15 -0.69 -0.34 0.00 -0.01 0.00 0.00 64.34 63.14 2tbd n VAL 22 Cb 0.57 -0.40 0.01 0.00 -0.91 0.00 0.00 33.84 33.11 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 -2.56 3.27 -3.23 3.52 3.01 -1.26 -3.27 117.46 116.94 2tbd n PHE 23 Ca -0.24 -2.93 -0.29 0.00 1.01 0.00 0.00 57.45 55.00 2tbd n PHE 23 Cb 0.96 -0.76 -0.03 0.00 -0.01 0.00 0.00 39.48 39.64 2tbd n PHE 23 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2tbd s SER 24 N -2.27 6.48 -0.16 4.37 1.04 -1.26 -4.97 113.70 116.93 2tbd s SER 24 Ca 0.47 0.84 0.07 0.00 0.48 0.00 0.00 55.95 57.81 2tbd s SER 24 Cb 0.34 -2.20 0.47 0.00 0.10 0.00 0.00 66.02 64.73 2tbd s SER 24 CO -0.23 -0.23 1.29 0.59 0.98 0.00 0.00 173.24 175.63 2tbd n ASN 25 N -0.94 3.75 -4.86 7.02 4.13 -1.26 -4.69 115.26 118.40 2tbd n ASN 25 Ca -0.00 -2.61 -0.37 0.00 1.68 0.00 0.00 54.58 53.28 2tbd n ASN 25 Cb 0.54 -0.63 -0.06 0.00 -1.54 0.00 0.00 39.78 38.09 2tbd n ASN 25 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2tbd s ARG 26 N -2.03 3.67 -0.48 3.52 0.52 -1.26 -5.05 118.95 117.83 2tbd s ARG 26 Ca 0.32 0.10 -0.13 0.00 -0.52 0.00 0.00 55.73 55.51 2tbd s ARG 26 Cb 0.25 -3.16 0.10 0.00 0.52 0.00 0.00 34.95 32.67 2tbd s ARG 26 CO 0.09 0.70 0.39 0.95 0.02 0.00 0.00 175.30 177.45 2tbd s THR 27 N -1.14 4.76 0.24 0.02 -4.23 -1.26 -4.08 115.64 109.95 2tbd s THR 27 Ca 0.23 -1.46 0.07 0.00 -1.18 0.00 0.00 61.69 59.35 2tbd s THR 27 Cb -0.14 -4.00 -0.04 0.00 1.34 0.00 0.00 72.50 69.66 2tbd s THR 27 CO 0.11 -0.71 0.16 -0.76 -0.54 0.00 0.00 174.62 172.88 2tbd s LEU 28 N 1.51 3.72 -0.01 4.79 1.43 -0.71 -4.69 118.68 124.72 2tbd s LEU 28 Ca 0.04 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 2tbd s LEU 28 Cb -0.26 -2.26 0.12 0.00 0.03 0.00 0.00 46.19 43.82 2tbd s LEU 28 CO 0.03 -0.02 1.09 0.00 0.23 0.00 0.00 176.35 177.68 2tbd n ALA 29 N -1.05 2.09 -3.24 4.21 0.00 -1.26 -2.43 120.51 118.83 2tbd n ALA 29 Ca -0.08 -1.14 -0.21 0.00 0.00 0.00 0.00 53.44 52.01 2tbd n ALA 29 Cb 0.58 -0.17 -0.16 0.00 0.00 0.00 0.00 19.45 19.70 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 0.43 0.30 -0.27 0.00 0.40 -1.08 -2.62 117.98 115.14 2tbd s PHE 31 Ca -0.08 -0.69 0.02 0.00 -0.60 0.00 0.00 56.93 55.59 2tbd s PHE 31 Cb -0.12 -0.21 0.07 0.00 0.51 0.00 0.00 43.02 43.27 2tbd s PHE 31 CO 0.01 -0.37 -0.04 0.00 0.70 0.00 0.00 175.22 175.52 2tbd s ALA 32 N -3.01 2.29 0.11 5.36 0.00 -0.60 -2.52 121.76 123.39 2tbd s ALA 32 Ca -0.02 -1.71 -0.26 0.00 0.00 0.00 0.00 51.96 49.97 2tbd s ALA 32 Cb 0.01 -1.59 -0.06 0.00 0.00 0.00 0.00 23.12 21.48 2tbd s ALA 32 CO -0.07 -1.31 0.82 0.42 0.00 0.00 0.00 175.76 175.62 2tbd s ILE 33 N 1.23 4.54 -0.30 0.00 1.01 -0.93 -2.47 121.20 124.27 2tbd s ILE 33 Ca -0.03 1.77 0.03 0.00 0.00 0.00 0.00 60.65 62.42 2tbd s ILE 33 Cb -0.19 -4.18 0.09 0.00 0.01 0.00 0.00 42.46 38.19 2tbd s ILE 33 CO -0.07 0.41 0.01 -0.47 0.00 0.00 0.00 174.94 174.81 2tbd s TYR 34 N -0.44 3.23 0.37 3.97 5.04 -0.75 -0.27 117.35 128.50 2tbd s TYR 34 Ca 0.39 -2.54 -0.13 0.00 -2.44 0.00 0.00 57.07 52.36 2tbd s TYR 34 Cb -0.22 -2.39 0.04 0.00 0.35 0.00 0.00 41.96 39.74 2tbd s TYR 34 CO 0.26 -0.90 0.70 0.95 -1.34 0.00 0.00 175.55 175.22 2tbd s THR 35 N 1.10 0.00 0.42 4.34 -4.23 -1.02 -0.47 115.64 115.78 2tbd s THR 35 Ca 0.04 -1.16 -0.23 0.00 -1.18 0.00 0.00 61.69 59.16 2tbd s THR 35 Cb -0.19 -2.77 -0.12 0.00 1.34 0.00 0.00 72.50 70.77 2tbd s THR 35 CO -0.09 0.00 0.74 0.35 -0.54 0.00 0.00 174.62 175.08 2tbd n THR 36 N -0.53 2.10 -0.24 3.99 -2.24 -1.26 -2.00 114.28 114.09 2tbd n THR 36 Ca -0.06 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.21 2tbd n THR 36 Cb 0.60 -0.78 0.11 0.00 -2.10 0.00 0.00 70.33 68.16 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 1.09 0.70 -0.74 -0.78 2.10 -1.86 -0.24 116.57 116.83 2tbd h LYS 37 Ca -0.42 -0.04 0.21 0.00 -2.00 0.00 0.00 60.65 58.40 2tbd h LYS 37 Cb 1.38 -0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 32.51 2tbd h LYS 37 CO 0.54 0.46 0.53 1.49 -2.00 0.00 0.00 179.45 180.47 2tbd h GLU 38 N 0.72 0.06 0.20 0.07 4.57 -2.00 -1.39 114.58 116.80 2tbd h GLU 38 Ca 0.31 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 2tbd h GLU 38 Cb 0.20 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2tbd h GLU 38 CO -0.19 0.04 -0.10 -0.22 -1.18 0.00 0.00 179.01 177.36 2tbd h LYS 39 N 0.06 -0.26 -1.15 1.92 3.64 -1.37 -3.24 116.57 116.16 2tbd h LYS 39 Ca 0.36 0.02 0.33 0.00 -1.27 0.00 0.00 60.65 60.08 2tbd h LYS 39 Cb 1.34 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.15 2tbd h LYS 39 CO -0.02 -0.12 0.79 0.00 -2.27 0.00 0.00 179.45 177.82 2tbd h ALA 40 N -1.00 2.74 -0.43 5.00 0.00 -1.16 0.25 119.26 124.66 2tbd h ALA 40 Ca -0.03 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2tbd h ALA 40 Cb 0.26 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2tbd h ALA 40 CO 0.05 -1.14 0.21 0.00 0.00 0.00 0.00 179.25 178.37 2tbd h ALA 41 N 1.50 0.54 0.33 0.00 0.00 -1.30 0.14 119.26 120.48 2tbd h ALA 41 Ca 0.61 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.52 2tbd h ALA 41 Cb 2.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2tbd h ALA 41 CO -0.16 -0.15 -0.16 -0.07 0.00 0.00 0.00 179.25 178.71 2tbd h LEU 42 N 0.42 -0.37 -2.05 0.00 4.07 -0.57 -2.90 115.31 113.92 2tbd h LEU 42 Ca 0.19 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2tbd h LEU 42 Cb 0.10 0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2tbd h LEU 42 CO -0.14 0.08 0.31 -0.07 -1.08 0.00 0.00 178.44 177.54 2tbd h LEU 43 N -0.95 0.00 0.58 1.67 3.38 -1.31 -0.98 115.31 117.69 2tbd h LEU 43 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2tbd h LEU 43 Cb 0.51 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.27 2tbd h LEU 43 CO 0.07 0.00 -0.28 0.22 0.09 0.00 0.00 178.44 178.55 2tbd h TYR 44 N 0.00 -0.72 0.00 1.13 5.03 -0.50 -0.41 116.97 121.50 2tbd h TYR 44 Ca 0.00 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2tbd h TYR 44 Cb 0.63 0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.14 2tbd h TYR 44 CO 0.00 -0.41 0.00 0.87 -1.32 0.00 0.00 178.16 177.30 2tbd h LYS 45 N -1.15 0.00 0.00 1.82 1.57 -1.29 -2.24 116.57 115.28 2tbd h LYS 45 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2tbd h LYS 45 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2tbd h LYS 45 CO 0.13 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.64 2tbd n LYS 46 N -2.68 0.00 0.08 3.15 5.02 -0.46 -3.98 118.16 119.29 2tbd n LYS 46 Ca 0.01 0.37 0.21 0.00 -2.02 0.00 0.00 58.31 56.87 2tbd n LYS 46 Cb 0.25 -0.86 0.71 0.00 -0.02 0.00 0.00 35.03 35.12 2tbd n LYS 46 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2tbd h ILE 47 N 0.00 0.30 -1.33 -0.18 2.04 -1.18 -1.62 117.51 115.54 2tbd h ILE 47 Ca 0.00 0.00 0.46 0.00 1.00 0.00 0.00 64.86 66.32 2tbd h ILE 47 Cb 0.00 0.58 -0.14 0.00 -0.74 0.00 0.00 36.82 36.51 2tbd h ILE 47 CO 0.00 0.00 0.85 -0.03 0.00 0.00 0.00 178.15 178.97 2tbd h MET 48 N 0.00 0.02 0.00 2.37 4.05 -1.53 -1.68 114.93 118.17 2tbd h MET 48 Ca 0.21 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.62 2tbd h MET 48 Cb 1.25 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.04 2tbd h MET 48 CO -0.00 0.02 -1.05 0.39 0.23 0.00 0.00 176.91 176.50 2tbd n GLU 49 N -4.78 1.16 0.11 0.39 1.02 -0.65 -3.50 120.64 114.40 2tbd n GLU 49 Ca 0.40 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.74 2tbd n GLU 49 Cb 1.51 -1.02 0.72 0.00 -0.02 0.00 0.00 31.44 32.64 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2tbd h LYS 50 N 0.00 0.00 0.00 3.49 3.64 -1.17 -2.04 116.57 120.48 2tbd h LYS 50 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2tbd h LYS 50 Cb 1.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2tbd h LYS 50 CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 2tbd n TYR 51 N -3.52 0.00 -4.15 1.91 4.02 -0.66 -5.00 117.16 109.77 2tbd n TYR 51 Ca 0.07 -0.09 -0.32 0.00 -0.01 0.00 0.00 57.90 57.55 2tbd n TYR 51 Cb 0.66 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.93 2tbd n TYR 51 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2tbd n SER 52 N -0.09 -1.57 -3.41 7.72 2.88 -0.77 -3.90 113.62 114.48 2tbd n SER 52 Ca 0.00 -1.05 -0.45 0.00 -1.33 0.00 0.00 58.87 56.04 2tbd n SER 52 Cb 0.34 -2.68 -0.06 0.00 -0.75 0.00 0.00 64.21 61.06 2tbd n SER 52 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2tbd n VAL 53 N -4.40 0.00 1.35 2.46 0.24 -1.24 -4.49 118.33 112.24 2tbd n VAL 53 Ca -0.12 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.30 2tbd n VAL 53 Cb 0.59 -0.02 0.66 0.00 -1.47 0.00 0.00 33.84 33.61 2tbd n VAL 53 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2tbd n THR 54 N 1.21 0.11 0.00 3.34 -1.04 -1.21 -4.76 114.28 111.93 2tbd n THR 54 Ca 0.15 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2tbd n THR 54 Cb 0.06 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 2tbd n THR 54 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2tbd n PHE 55 N -1.11 0.00 -3.70 -1.42 7.35 -1.26 -3.69 117.46 113.63 2tbd n PHE 55 Ca 0.15 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.63 2tbd n PHE 55 Cb 0.12 0.00 -0.18 0.00 0.35 0.00 0.00 39.48 39.77 2tbd n PHE 55 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 2tbd s ILE 56 N 0.00 0.04 -0.08 -2.13 2.07 -1.26 -1.58 121.20 118.25 2tbd s ILE 56 Ca 0.00 0.32 0.02 0.00 -1.41 0.00 0.00 60.65 59.58 2tbd s ILE 56 Cb 0.00 -0.28 0.01 0.00 0.13 0.00 0.00 42.46 42.32 2tbd s ILE 56 CO 0.00 0.19 -0.15 -0.55 -1.91 0.00 0.00 174.94 172.52 2tbd s SER 57 N 2.11 2.17 -0.21 4.50 0.15 -0.15 -1.66 113.70 120.62 2tbd s SER 57 Ca 0.05 -0.37 -0.20 0.00 0.70 0.00 0.00 55.95 56.12 2tbd s SER 57 Cb -0.12 -0.99 -0.02 0.00 -1.71 0.00 0.00 66.02 63.17 2tbd s SER 57 CO -0.04 0.04 0.62 -0.13 1.20 0.00 0.00 173.24 174.93 2tbd s ARG 58 N 0.73 4.20 0.42 5.44 0.52 -0.43 -1.52 118.95 128.30 2tbd s ARG 58 Ca -0.13 0.59 0.07 0.00 -0.52 0.00 0.00 55.73 55.74 2tbd s ARG 58 Cb -0.16 -3.59 -0.06 0.00 0.52 0.00 0.00 34.95 31.67 2tbd s ARG 58 CO 0.03 -0.26 0.14 -1.01 0.02 0.00 0.00 175.30 174.22 2tbd s HIS 59 N 1.97 2.56 -0.12 -0.53 3.76 -0.97 -0.71 115.29 121.25 2tbd s HIS 59 Ca 0.28 -0.62 -0.02 0.00 -0.15 0.00 0.00 55.06 54.55 2tbd s HIS 59 Cb -0.16 -1.91 -0.03 0.00 1.11 0.00 0.00 32.58 31.59 2tbd s HIS 59 CO 0.10 0.25 -0.04 -0.80 -0.85 0.00 0.00 174.74 173.40 2tbd s ASN 60 N -3.86 4.85 0.00 1.40 0.01 -1.02 -1.22 114.94 115.10 2tbd s ASN 60 Ca 0.39 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.50 2tbd s ASN 60 Cb 0.05 -1.54 0.00 0.00 0.41 0.00 0.00 41.25 40.17 2tbd s ASN 60 CO 0.21 0.27 0.00 -1.54 -1.51 0.00 0.00 177.10 174.53 2tbd n SER 61 N 2.86 0.00 -0.05 -1.22 3.41 -0.74 -1.86 113.62 116.01 2tbd n SER 61 Ca -0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.32 2tbd n SER 61 Cb 0.53 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.00 0.00 -0.86 7.33 4.02 -1.26 -4.75 117.16 121.64 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 -0.43 0.00 0.00 -0.02 0.00 0.00 39.34 38.89 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 -3.86 0.42 0.00 7.72 4.13 -1.26 -5.09 115.26 117.32 2tbd n ASN 63 Ca -0.20 -1.28 0.00 0.00 1.68 0.00 0.00 54.58 54.78 2tbd n ASN 63 Cb 0.52 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 2tbd n ASN 63 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2tbd n HIS 64 N -0.12 0.00 -4.14 3.10 8.25 -1.26 -4.78 115.22 116.28 2tbd n HIS 64 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2tbd n HIS 64 Cb 0.46 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.47 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 1.48 0.69 -0.39 0.41 0.01 -0.85 -1.80 114.94 114.50 2tbd s ASN 65 Ca 0.00 -1.06 -0.08 0.00 -0.71 0.00 0.00 52.86 51.02 2tbd s ASN 65 Cb 0.00 0.18 0.07 0.00 0.41 0.00 0.00 41.25 41.91 2tbd s ASN 65 CO 0.00 -0.59 0.20 -0.63 -1.51 0.00 0.00 177.10 174.58 2tbd s ILE 66 N -3.84 3.98 -1.02 0.60 1.09 -0.35 -2.43 121.20 119.22 2tbd s ILE 66 Ca 0.13 -1.40 -0.23 0.00 -1.10 0.00 0.00 60.65 58.05 2tbd s ILE 66 Cb 0.07 -3.41 0.04 0.00 -1.06 0.00 0.00 42.46 38.10 2tbd s ILE 66 CO -0.05 -0.43 1.53 -0.22 -0.10 0.00 0.00 174.94 175.67 2tbd s LEU 67 N 1.38 3.47 0.23 2.97 2.96 0.62 -2.30 118.68 128.01 2tbd s LEU 67 Ca 0.02 -1.39 -0.30 0.00 -0.22 0.00 0.00 54.13 52.25 2tbd s LEU 67 Cb -0.22 -2.57 -0.09 0.00 0.50 0.00 0.00 46.19 43.82 2tbd s LEU 67 CO 0.02 -1.67 1.01 0.12 -1.32 0.00 0.00 176.35 174.50 2tbd s PHE 68 N 5.66 3.81 -0.28 5.38 5.36 -0.58 -2.18 117.98 135.15 2tbd s PHE 68 Ca 0.50 1.81 -0.19 0.00 -0.96 0.00 0.00 56.93 58.09 2tbd s PHE 68 Cb -0.01 -3.11 0.09 0.00 -0.34 0.00 0.00 43.02 39.66 2tbd s PHE 68 CO -0.08 0.02 0.77 -0.59 -1.46 0.00 0.00 175.22 173.88 2tbd s PHE 69 N -0.94 -0.88 0.38 10.12 -0.71 -1.05 -0.97 117.98 123.93 2tbd s PHE 69 Ca 0.44 1.85 -0.00 0.00 -1.04 0.00 0.00 56.93 58.17 2tbd s PHE 69 Cb -0.28 0.49 0.08 0.00 -1.21 0.00 0.00 43.02 42.10 2tbd s PHE 69 CO 0.35 -0.43 0.52 1.28 -1.34 0.00 0.00 175.22 175.60 2tbd n LEU 70 N 3.72 0.00 -3.51 -1.99 4.77 -0.62 -2.63 117.00 116.74 2tbd n LEU 70 Ca -0.18 -1.09 -0.16 0.00 -0.03 0.00 0.00 56.01 54.55 2tbd n LEU 70 Cb 0.58 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 2tbd n LEU 70 CO 0.00 -0.76 0.39 0.42 -1.33 0.00 0.00 177.39 176.12 2tbd s THR 71 N -1.52 0.01 0.00 -5.08 -4.23 0.48 -3.36 115.64 101.94 2tbd s THR 71 Ca 0.35 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 2tbd s THR 71 Cb -0.02 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2tbd s THR 71 CO 0.23 -0.03 0.00 -0.81 -0.54 0.00 0.00 174.62 173.47 2tbd n PRO 72 N 0.56 0.00 -0.53 3.99 -0.04 -1.25 -4.80 135.00 132.93 2tbd n PRO 72 Ca -0.19 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.08 2tbd n PRO 72 Cb 0.59 -0.13 0.15 0.00 -0.04 0.00 0.00 33.50 34.07 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 0.00 -2.32 -3.97 0.54 1.44 -1.26 -4.95 115.22 104.70 2tbd n HIS 73 Ca 0.00 -0.02 -0.30 0.00 -2.01 0.00 0.00 57.72 55.39 2tbd n HIS 73 Cb 0.00 -1.40 -0.05 0.00 0.12 0.00 0.00 29.99 28.67 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 -3.50 3.25 -0.08 -1.40 0.52 -1.26 -4.75 118.95 111.73 2tbd s ARG 74 Ca 0.38 -0.55 -0.15 0.00 -0.52 0.00 0.00 55.73 54.89 2tbd s ARG 74 Cb -0.06 -2.92 0.03 0.00 0.52 0.00 0.00 34.95 32.52 2tbd s ARG 74 CO 0.37 0.58 0.37 -3.38 0.02 0.00 0.00 175.30 173.25 2tbd s HIS 75 N -1.52 -0.32 0.31 -0.53 -3.43 -1.02 -4.98 115.29 103.81 2tbd s HIS 75 Ca 0.33 0.68 -0.27 0.00 -0.80 0.00 0.00 55.06 55.00 2tbd s HIS 75 Cb -0.12 0.14 -0.10 0.00 -1.43 0.00 0.00 32.58 31.07 2tbd s HIS 75 CO 0.26 -0.31 0.95 1.03 -2.00 0.00 0.00 174.74 174.67 2tbd s ARG 76 N -0.60 4.62 0.60 -0.38 0.52 -1.26 -1.74 118.95 120.71 2tbd s ARG 76 Ca -0.07 1.38 0.25 0.00 -0.52 0.00 0.00 55.73 56.77 2tbd s ARG 76 Cb -0.04 -2.89 1.35 0.00 0.52 0.00 0.00 34.95 33.90 2tbd s ARG 76 CO 0.03 0.30 1.74 0.28 0.02 0.00 0.00 175.30 177.68 2tbd h VAL 77 N 2.70 0.00 -0.17 3.52 2.07 -1.84 0.27 116.25 122.80 2tbd h VAL 77 Ca -0.46 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 2tbd h VAL 77 Cb 1.19 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2tbd h VAL 77 CO 0.65 0.00 -0.27 -1.28 0.02 0.00 0.00 177.57 176.69 2tbd h SER 78 N 0.00 0.53 0.44 0.57 0.87 -1.83 0.25 113.55 114.37 2tbd h SER 78 Ca 0.00 -0.53 -0.02 0.00 -1.23 0.00 0.00 61.79 60.01 2tbd h SER 78 Cb 0.73 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2tbd h SER 78 CO 0.00 0.96 -0.21 0.00 -0.53 0.00 0.00 176.83 177.05 2tbd h ALA 79 N 0.59 -0.59 0.00 6.23 0.00 -0.82 0.23 119.26 124.89 2tbd h ALA 79 Ca 0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2tbd h ALA 79 Cb 0.85 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2tbd h ALA 79 CO 0.06 -0.69 -0.02 0.82 0.00 0.00 0.00 179.25 179.42 2tbd h ILE 80 N -0.87 0.67 -0.01 0.00 1.08 -1.54 0.10 117.51 116.95 2tbd h ILE 80 Ca -0.06 -0.09 -0.13 0.00 -0.39 0.00 0.00 64.86 64.18 2tbd h ILE 80 Cb 0.56 1.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.35 2tbd h ILE 80 CO 0.10 0.02 -0.62 -1.13 -0.69 0.00 0.00 178.15 175.83 2tbd h ASN 81 N 0.00 0.02 0.62 1.72 -1.24 -0.04 -1.78 115.58 114.88 2tbd h ASN 81 Ca -0.00 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 2tbd h ASN 81 Cb 0.05 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.10 2tbd h ASN 81 CO 0.00 0.64 -0.05 0.78 -1.29 0.00 0.00 177.43 177.51 2tbd h ASN 82 N 0.01 0.00 0.00 1.15 2.35 0.13 0.86 115.58 120.09 2tbd h ASN 82 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2tbd h ASN 82 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.47 2tbd h ASN 82 CO 0.08 0.05 -0.21 0.00 -1.65 0.00 0.00 177.43 175.70 2tbd n TYR 83 N -3.23 0.36 -0.27 1.19 9.36 -0.87 -3.42 117.16 120.27 2tbd n TYR 83 Ca -0.01 0.16 -0.02 0.00 3.32 0.00 0.00 57.90 61.35 2tbd n TYR 83 Cb 0.24 -0.45 0.10 0.00 -0.63 0.00 0.00 39.34 38.61 2tbd n TYR 83 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2tbd h ALA 84 N -1.60 1.02 0.00 2.98 0.00 -1.42 -0.13 119.26 120.11 2tbd h ALA 84 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2tbd h ALA 84 Cb 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2tbd h ALA 84 CO 0.00 0.24 -0.03 0.37 0.00 0.00 0.00 179.25 179.82 2tbd h GLN 85 N 0.90 0.00 -0.05 0.00 5.75 -1.03 -1.16 115.11 119.52 2tbd h GLN 85 Ca 0.32 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.82 2tbd h GLN 85 Cb 0.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.63 2tbd h GLN 85 CO -0.14 0.03 0.00 1.63 -2.65 0.00 0.00 178.83 177.71 2tbd n LYS 86 N -3.23 1.13 -0.92 1.69 5.02 -0.07 -3.32 118.16 118.47 2tbd n LYS 86 Ca -0.01 -0.21 -0.03 0.00 -2.02 0.00 0.00 58.31 56.05 2tbd n LYS 86 Cb 0.21 -1.13 0.17 0.00 -0.02 0.00 0.00 35.03 34.26 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 -0.42 3.54 -0.77 -0.35 4.77 -0.44 -4.64 117.00 118.69 2tbd n LEU 87 Ca 0.06 -4.04 0.05 0.00 -0.03 0.00 0.00 56.01 52.05 2tbd n LEU 87 Cb 0.07 -0.53 0.21 0.00 -2.33 0.00 0.00 43.42 40.84 2tbd n LEU 87 CO 0.05 1.51 0.65 0.00 -1.33 0.00 0.00 177.39 178.27 2tbd n THR 89 N -0.92 0.00 0.20 0.00 5.66 -1.26 -3.80 114.28 114.16 2tbd n THR 89 Ca 0.23 -0.27 0.02 0.00 -3.05 0.00 0.00 64.05 60.99 2tbd n THR 89 Cb 0.87 0.67 -0.03 0.00 -1.55 0.00 0.00 70.33 70.29 2tbd n THR 89 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 2tbd n PHE 90 N 0.20 0.00 -3.97 1.09 -1.74 -1.26 -5.08 117.46 106.70 2tbd n PHE 90 Ca 0.17 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 57.06 2tbd n PHE 90 Cb 0.40 -0.01 0.02 0.00 1.52 0.00 0.00 39.48 41.41 2tbd n PHE 90 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2tbd s SER 91 N -1.50 0.01 0.91 5.98 0.15 -1.25 -5.16 113.70 112.85 2tbd s SER 91 Ca 0.01 -0.39 -0.12 0.00 0.70 0.00 0.00 55.95 56.16 2tbd s SER 91 Cb 0.03 0.28 0.13 0.00 -1.71 0.00 0.00 66.02 64.75 2tbd s SER 91 CO 0.19 -0.55 1.09 0.72 1.20 0.00 0.00 173.24 175.89 2tbd s PHE 92 N -2.03 2.27 -0.19 3.44 -0.71 -1.26 -4.55 117.98 114.95 2tbd s PHE 92 Ca 0.28 1.26 -0.23 0.00 -1.04 0.00 0.00 56.93 57.19 2tbd s PHE 92 Cb -0.02 -3.17 0.06 0.00 -1.21 0.00 0.00 43.02 38.69 2tbd s PHE 92 CO 0.02 -2.46 0.62 -1.17 -1.34 0.00 0.00 175.22 170.89 2tbd s LEU 93 N -6.26 -0.39 -0.40 -1.99 0.20 -1.26 -4.37 118.68 104.21 2tbd s LEU 93 Ca 0.64 1.11 0.08 0.00 0.69 0.00 0.00 54.13 56.65 2tbd s LEU 93 Cb -0.18 2.19 0.26 0.00 -0.43 0.00 0.00 46.19 48.03 2tbd s LEU 93 CO 0.57 -0.30 0.59 -0.38 -0.29 0.00 0.00 176.35 176.54 2tbd n ILE 94 N 2.33 -0.56 -2.70 6.68 -0.00 0.38 -5.00 119.36 120.49 2tbd n ILE 94 Ca -0.15 -3.83 -0.42 0.00 -0.00 0.00 0.00 62.75 58.35 2tbd n ILE 94 Cb 0.56 -1.39 -0.03 0.00 -0.00 0.00 0.00 39.64 38.77 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 0.67 0.34 1.33 0.00 2.47 -1.03 -4.93 119.74 118.59 2tbd s LYS 96 Ca 0.51 0.72 -0.19 0.00 -1.56 0.00 0.00 55.97 55.45 2tbd s LYS 96 Cb -0.22 -0.04 0.32 0.00 -1.46 0.00 0.00 37.83 36.43 2tbd s LYS 96 CO 0.29 -0.16 0.81 0.41 0.16 0.00 0.00 175.35 176.85 2tbd n GLY 97 N 4.29 -3.12 3.08 5.54 0.00 -1.26 -1.55 105.19 112.16 2tbd n GLY 97 Ca -0.23 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 2tbd n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2tbd s VAL 98 N -2.21 0.07 -0.03 1.61 1.01 -1.08 -3.72 120.40 116.06 2tbd s VAL 98 Ca 0.64 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 2tbd s VAL 98 Cb -0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 2tbd s VAL 98 CO 0.58 -0.32 -0.03 0.78 0.00 0.00 0.00 175.10 176.11 2tbd h ASN 99 N 4.63 0.00 -0.94 3.32 2.35 -1.79 -3.41 115.58 119.73 2tbd h ASN 99 Ca -0.30 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 54.81 2tbd h ASN 99 Cb 1.20 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.48 2tbd h ASN 99 CO 0.41 0.16 1.93 -0.54 -1.65 0.00 0.00 177.43 177.74 2tbd s LYS 100 N -1.25 3.82 0.00 0.81 1.02 -1.26 -4.87 119.74 118.01 2tbd s LYS 100 Ca -0.02 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.30 2tbd s LYS 100 Cb 0.00 -5.47 0.00 0.00 -0.52 0.00 0.00 37.83 31.84 2tbd s LYS 100 CO 0.04 -2.27 0.55 0.39 -0.92 0.00 0.00 175.35 173.14 2tbd n GLU 101 N 8.58 0.00 -0.41 1.68 4.71 -1.26 -1.67 120.64 132.27 2tbd n GLU 101 Ca 0.43 0.31 -0.10 0.00 -0.01 0.00 0.00 57.16 57.79 2tbd n GLU 101 Cb 0.48 -1.05 -0.09 0.00 -1.01 0.00 0.00 31.44 29.76 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 -0.94 -0.41 -0.32 -0.32 4.19 -1.26 0.15 117.16 118.24 2tbd n TYR 102 Ca 0.00 1.21 0.18 0.00 3.31 0.00 0.00 57.90 62.60 2tbd n TYR 102 Cb 0.00 -0.59 0.35 0.00 0.49 0.00 0.00 39.34 39.60 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 -0.12 -0.73 2.98 3.38 -1.94 0.67 115.31 119.55 2tbd h LEU 103 Ca 0.16 0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.34 2tbd h LEU 103 Cb 0.40 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2tbd h LEU 103 CO -0.91 -0.29 0.32 -0.03 0.09 0.00 0.00 178.44 177.61 2tbd h MET 104 N 0.09 1.07 0.40 1.13 4.05 0.64 -1.18 114.93 121.13 2tbd h MET 104 Ca 0.63 -0.18 -0.02 0.00 -0.28 0.00 0.00 59.70 59.86 2tbd h MET 104 Cb 1.40 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 2tbd h MET 104 CO -0.79 0.86 -0.19 -0.92 0.23 0.00 0.00 176.91 176.10 2tbd h TYR 105 N 1.03 -0.50 -0.73 1.39 5.03 0.68 0.13 116.97 124.01 2tbd h TYR 105 Ca 0.25 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.66 2tbd h TYR 105 Cb 0.17 0.17 -0.08 0.00 1.55 0.00 0.00 36.73 38.53 2tbd h TYR 105 CO 0.01 -0.17 0.32 1.03 -1.32 0.00 0.00 178.16 178.03 2tbd h SER 106 N -0.88 0.36 0.29 -2.11 0.87 -1.15 0.73 113.55 111.66 2tbd h SER 106 Ca -0.06 0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 2tbd h SER 106 Cb 0.55 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2tbd h SER 106 CO 0.09 0.18 -0.27 0.00 -0.53 0.00 0.00 176.83 176.30 2tbd h ALA 107 N 1.49 1.51 0.00 6.23 0.00 -1.15 -0.31 119.26 127.03 2tbd h ALA 107 Ca 0.38 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2tbd h ALA 107 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2tbd h ALA 107 CO -0.34 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2tbd n LEU 108 N -4.16 0.75 -0.01 0.00 4.77 0.21 -3.26 117.00 115.31 2tbd n LEU 108 Ca -0.02 0.57 0.01 0.00 -0.03 0.00 0.00 56.01 56.55 2tbd n LEU 108 Cb 0.32 -0.34 -0.12 0.00 -2.33 0.00 0.00 43.42 40.95 2tbd n LEU 108 CO 0.37 -0.18 -0.65 0.35 -1.33 0.00 0.00 177.39 175.95 2tbd n THR 109 N -2.21 0.84 -3.12 -5.08 -2.24 0.14 -3.31 114.28 99.30 2tbd n THR 109 Ca 0.06 -0.67 -0.39 0.00 -2.27 0.00 0.00 64.05 60.77 2tbd n THR 109 Cb 0.42 -0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 2tbd n THR 109 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2tbd s ARG 110 N -3.02 4.39 0.57 -0.78 3.52 -0.35 -4.53 118.95 118.75 2tbd s ARG 110 Ca -0.06 0.87 -0.18 0.00 -0.13 0.00 0.00 55.73 56.23 2tbd s ARG 110 Cb 0.10 -3.34 -0.13 0.00 -1.56 0.00 0.00 34.95 30.01 2tbd s ARG 110 CO 0.84 0.35 -0.03 -0.25 -0.81 0.00 0.00 175.30 175.40 2tbd n ASP 111 N 2.68 -3.27 -0.05 -2.12 8.00 -1.26 -1.35 116.55 119.18 2tbd n ASP 111 Ca -0.05 0.62 0.07 0.00 0.71 0.00 0.00 54.79 56.15 2tbd n ASP 111 Cb 0.51 -0.92 0.42 0.00 -0.02 0.00 0.00 41.12 41.11 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2tbd n PRO 112 N 1.18 1.07 -2.74 -0.24 -0.04 -1.26 -5.02 135.00 127.95 2tbd n PRO 112 Ca 0.08 -0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 63.01 2tbd n PRO 112 Cb 0.48 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.98 2.89 0.00 0.54 0.08 -0.46 -4.72 117.98 114.33 2tbd s PHE 113 Ca 0.23 0.50 0.00 0.00 0.12 0.00 0.00 56.93 57.78 2tbd s PHE 113 Cb 0.11 -4.13 0.00 0.00 -0.57 0.00 0.00 43.02 38.43 2tbd s PHE 113 CO 0.18 -1.16 0.00 -1.13 -0.10 0.00 0.00 175.22 173.01 2tbd n SER 114 N 7.39 0.00 -4.21 1.36 3.41 -0.78 -2.97 113.62 117.82 2tbd n SER 114 Ca 0.08 -1.00 -0.20 0.00 -0.26 0.00 0.00 58.87 57.49 2tbd n SER 114 Cb 0.49 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.31 2tbd n SER 114 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2tbd s VAL 115 N 0.09 1.34 0.09 -3.33 1.01 -1.26 -2.45 120.40 115.89 2tbd s VAL 115 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.59 2tbd s VAL 115 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2tbd s VAL 115 CO 0.00 -0.16 0.00 -0.38 0.00 0.00 0.00 175.10 174.56 2tbd n ILE 116 N 1.21 1.07 -4.08 2.22 -0.00 0.11 -4.79 119.36 115.10 2tbd n ILE 116 Ca -0.21 0.35 -0.12 0.00 -0.00 0.00 0.00 62.75 62.78 2tbd n ILE 116 Cb 0.54 -1.50 -0.06 0.00 -0.00 0.00 0.00 39.64 38.62 2tbd n ILE 116 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 2tbd s GLU 117 N -1.88 1.58 0.17 0.38 2.02 -1.05 -4.96 118.70 114.96 2tbd s GLU 117 Ca 0.00 -1.52 -0.24 0.00 0.02 0.00 0.00 54.97 53.23 2tbd s GLU 117 Cb 0.00 0.41 0.06 0.00 0.10 0.00 0.00 34.13 34.70 2tbd s GLU 117 CO 0.00 -0.63 0.86 -1.83 0.02 0.00 0.00 175.26 173.68 2tbd s GLU 118 N -3.74 1.31 -0.01 1.61 4.04 -1.26 -1.31 118.70 119.34 2tbd s GLU 118 Ca 0.29 -0.68 0.13 0.00 0.04 0.00 0.00 54.97 54.75 2tbd s GLU 118 Cb 0.01 0.47 -0.17 0.00 0.02 0.00 0.00 34.13 34.47 2tbd s GLU 118 CO 0.14 -0.59 0.44 0.45 -1.84 0.00 0.00 175.26 173.85 2tbd n SER 119 N -0.43 1.18 -4.80 0.83 2.88 -0.66 -4.92 113.62 107.69 2tbd n SER 119 Ca -0.07 -0.46 -0.35 0.00 -1.33 0.00 0.00 58.87 56.66 2tbd n SER 119 Cb 0.61 1.26 -0.06 0.00 -0.75 0.00 0.00 64.21 65.26 2tbd n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2tbd s LEU 120 N -3.17 4.14 0.41 2.46 1.43 -1.26 -4.84 118.68 117.85 2tbd s LEU 120 Ca 0.01 1.79 0.22 0.00 -1.03 0.00 0.00 54.13 55.12 2tbd s LEU 120 Cb 0.09 -4.27 0.54 0.00 0.03 0.00 0.00 46.19 42.58 2tbd s LEU 120 CO 0.54 -0.24 1.67 1.55 0.23 0.00 0.00 176.35 180.10 2tbd h PRO 121 N 2.53 0.00 0.00 1.29 0.13 -1.93 -3.29 132.00 130.73 2tbd h PRO 121 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2tbd h PRO 121 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2tbd h PRO 121 CO 0.63 0.20 -0.23 0.41 -0.23 0.00 0.00 178.00 178.78 2tbd n GLY 122 N 0.76 0.31 7.00 1.56 0.00 -1.26 -5.12 105.19 108.44 2tbd n GLY 122 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.25 0.28 3.94 -0.02 0.00 -1.24 -4.80 105.19 103.10 2tbd n GLY 123 Ca 0.02 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 2tbd n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2tbd s LEU 124 N 0.00 3.77 0.00 0.99 2.96 -1.26 -4.79 118.68 120.35 2tbd s LEU 124 Ca 0.00 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 2tbd s LEU 124 Cb 0.00 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.34 2tbd s LEU 124 CO 0.00 -0.54 0.00 0.29 -1.32 0.00 0.00 176.35 174.78 2tbd n LYS 125 N -2.02 0.00 -0.03 1.98 4.01 -1.26 -5.10 118.16 115.74 2tbd n LYS 125 Ca -0.01 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.79 2tbd n LYS 125 Cb 0.57 0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 35.09 2tbd n LYS 125 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 2tbd h GLU 126 N 0.00 0.00 0.00 1.97 4.22 -2.02 -3.47 114.58 115.29 2tbd h GLU 126 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2tbd h GLU 126 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2tbd h GLU 126 CO 0.00 0.00 0.00 -2.39 -2.18 0.00 0.00 179.01 174.44 2tbd n HIS 127 N -3.74 -0.02 -1.81 0.92 1.44 -1.26 -4.94 115.22 105.80 2tbd n HIS 127 Ca -0.00 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.42 2tbd n HIS 127 Cb 0.01 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.25 2tbd n HIS 127 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2tbd s ASP 128 N -2.11 3.88 -0.14 4.39 1.01 -1.26 -5.04 116.67 117.40 2tbd s ASP 128 Ca 0.00 0.69 -0.03 0.00 0.71 0.00 0.00 52.55 53.92 2tbd s ASP 128 Cb 0.00 -1.08 -0.03 0.00 1.01 0.00 0.00 42.92 42.82 2tbd s ASP 128 CO 0.00 -2.29 -0.03 -0.36 0.21 0.00 0.00 175.17 172.69 2tbd s PHE 129 N -3.58 3.03 -0.05 4.23 0.08 -1.26 -4.67 117.98 115.77 2tbd s PHE 129 Ca 0.65 -0.22 -0.31 0.00 0.12 0.00 0.00 56.93 57.17 2tbd s PHE 129 Cb -0.10 -1.93 0.07 0.00 -0.57 0.00 0.00 43.02 40.49 2tbd s PHE 129 CO 0.51 0.04 0.68 -0.80 -0.10 0.00 0.00 175.22 175.55 2tbd s ASN 130 N 0.16 -0.66 0.69 1.36 -0.87 -1.25 -4.73 114.94 109.65 2tbd s ASN 130 Ca -0.01 0.71 -0.11 0.00 -1.57 0.00 0.00 52.86 51.87 2tbd s ASN 130 Cb -0.14 0.54 0.00 0.00 -0.02 0.00 0.00 41.25 41.63 2tbd s ASN 130 CO 0.03 -0.61 1.06 -2.16 -2.57 0.00 0.00 177.10 172.85 2tbd s PRO 131 N -1.22 3.02 0.41 -0.60 0.04 -1.24 -4.80 135.00 130.62 2tbd s PRO 131 Ca -0.11 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.68 2tbd s PRO 131 Cb -0.00 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2tbd s PRO 131 CO 0.10 -0.99 0.00 0.39 0.04 0.00 0.00 177.00 176.54 2tbd n GLU 132 N -3.03 -3.31 0.00 4.56 1.02 -1.26 -5.02 120.64 113.60 2tbd n GLU 132 Ca 0.07 2.50 0.00 0.00 -0.02 0.00 0.00 57.16 59.71 2tbd n GLU 132 Cb 0.55 -2.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.05 2tbd n GLU 132 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2tbd n SER 133 N -1.43 0.00 -0.81 1.62 3.41 -1.26 -5.04 113.62 110.11 2tbd n SER 133 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 2tbd n SER 133 Cb 0.13 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.16 2tbd n SER 133 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64