#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 1.17 0.49 1.61 1.04 -1.26 -5.15 113.70 111.61 2tbd s SER 2 Ca 0.00 -0.18 0.07 0.00 0.48 0.00 0.00 55.95 56.32 2tbd s SER 2 Cb 0.00 -0.23 0.02 0.00 0.10 0.00 0.00 66.02 65.91 2tbd s SER 2 CO 0.00 0.09 0.49 -0.75 0.98 0.00 0.00 173.24 174.05 2tbd s LYS 3 N 0.00 2.42 -0.95 4.02 2.47 -1.26 -4.94 119.74 121.50 2tbd s LYS 3 Ca -0.00 -1.69 -0.24 0.00 -1.56 0.00 0.00 55.97 52.48 2tbd s LYS 3 Cb -0.06 -2.38 -0.24 0.00 -1.46 0.00 0.00 37.83 33.69 2tbd s LYS 3 CO 0.00 -0.48 2.50 0.28 0.16 0.00 0.00 175.35 177.81 2tbd n VAL 4 N -1.79 -0.01 -3.22 4.02 0.31 -1.26 -4.85 118.33 111.53 2tbd n VAL 4 Ca 0.05 -0.23 -0.39 0.00 -0.01 0.00 0.00 64.34 63.76 2tbd n VAL 4 Cb 0.62 -0.60 -0.06 0.00 -0.91 0.00 0.00 33.84 32.90 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 8.35 4.29 0.01 5.55 2.56 -1.26 -5.03 118.70 133.18 2tbd s GLU 5 Ca 1.30 0.72 -0.30 0.00 0.00 0.00 0.00 54.97 56.68 2tbd s GLU 5 Cb -1.01 -3.33 -0.04 0.00 2.00 0.00 0.00 34.13 31.75 2tbd s GLU 5 CO 0.48 0.40 1.13 -0.51 -0.56 0.00 0.00 175.26 176.19 2tbd s ASP 6 N -0.28 7.17 -0.36 -1.70 1.11 -1.26 -4.98 116.67 116.36 2tbd s ASP 6 Ca 0.30 1.85 -0.29 0.00 0.18 0.00 0.00 52.55 54.60 2tbd s ASP 6 Cb -0.18 -2.57 0.02 0.00 1.07 0.00 0.00 42.92 41.25 2tbd s ASP 6 CO 0.17 -0.43 1.17 -2.16 1.18 0.00 0.00 175.17 175.10 2tbd s PRO 7 N 1.31 3.91 0.00 8.23 0.04 -1.26 -4.88 135.00 142.34 2tbd s PRO 7 Ca 0.56 0.98 0.29 0.00 0.04 0.00 0.00 61.00 62.87 2tbd s PRO 7 Cb -0.26 -3.83 1.74 0.00 0.04 0.00 0.00 34.50 32.19 2tbd s PRO 7 CO 0.27 -1.12 2.11 0.36 0.04 0.00 0.00 177.00 178.66 2tbd n LYS 8 N 7.31 0.98 -3.63 4.56 2.85 -1.26 -4.87 118.16 124.10 2tbd n LYS 8 Ca 0.13 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.38 2tbd n LYS 8 Cb 0.47 -1.46 -0.01 0.00 -0.65 0.00 0.00 35.03 33.38 2tbd n LYS 8 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 2tbd s ASP 9 N -1.93 -0.10 1.01 -5.58 1.47 -1.26 -5.00 116.67 105.27 2tbd s ASP 9 Ca 0.44 -0.15 -0.19 0.00 1.18 0.00 0.00 52.55 53.82 2tbd s ASP 9 Cb 0.20 0.22 -0.07 0.00 -0.34 0.00 0.00 42.92 42.93 2tbd s ASP 9 CO 0.34 -0.41 -0.60 0.49 0.68 0.00 0.00 175.17 175.67 2tbd n PHE 10 N -0.41 -2.63 -2.32 2.11 3.72 -1.26 -4.90 117.46 111.77 2tbd n PHE 10 Ca -0.07 0.25 -0.33 0.00 -0.05 0.00 0.00 57.45 57.26 2tbd n PHE 10 Cb 0.62 -1.52 -0.02 0.00 -0.94 0.00 0.00 39.48 37.62 2tbd n PHE 10 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2tbd s PRO 11 N -2.63 3.74 0.53 -1.08 0.04 -1.26 -4.93 135.00 129.41 2tbd s PRO 11 Ca 0.46 1.09 0.25 0.00 0.04 0.00 0.00 61.00 62.84 2tbd s PRO 11 Cb -0.10 -2.10 1.47 0.00 0.04 0.00 0.00 34.50 33.81 2tbd s PRO 11 CO 0.72 -0.45 2.11 1.03 0.04 0.00 0.00 177.00 180.44 2tbd h SER 12 N 0.89 0.00 0.00 6.66 0.87 -1.99 -1.24 113.55 118.73 2tbd h SER 12 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2tbd h SER 12 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2tbd h SER 12 CO 0.60 0.10 0.00 1.21 -0.53 0.00 0.00 176.83 178.20 2tbd n GLU 13 N -3.84 0.60 0.00 2.24 4.07 -1.26 -2.59 120.64 119.86 2tbd n GLU 13 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 2tbd n GLU 13 Cb 0.19 -1.45 0.00 0.00 -0.06 0.00 0.00 31.44 30.12 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 -0.95 0.50 -1.18 4.31 7.94 -0.49 -4.76 117.00 122.37 2tbd n LEU 14 Ca 0.13 -0.50 0.02 0.00 -1.11 0.00 0.00 56.01 54.55 2tbd n LEU 14 Cb 0.06 0.00 0.18 0.00 0.53 0.00 0.00 43.42 44.19 2tbd n LEU 14 CO 0.10 0.12 0.56 0.18 -1.11 0.00 0.00 177.39 177.25 2tbd n LEU 15 N -0.10 3.30 0.01 -1.96 4.77 -1.07 -3.93 117.00 118.03 2tbd n LEU 15 Ca 0.00 -1.68 0.14 0.00 -0.03 0.00 0.00 56.01 54.44 2tbd n LEU 15 Cb 0.34 -0.59 0.57 0.00 -2.33 0.00 0.00 43.42 41.41 2tbd n LEU 15 CO 0.00 0.45 0.91 -1.20 -1.33 0.00 0.00 177.39 176.22 2tbd n SER 16 N 0.24 0.11 -3.32 -1.43 7.64 -1.26 -4.48 113.62 111.12 2tbd n SER 16 Ca 0.14 0.44 -0.12 0.00 1.01 0.00 0.00 58.87 60.34 2tbd n SER 16 Cb 0.72 -0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 63.40 2tbd n SER 16 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2tbd s PHE 17 N -3.01 -0.66 0.21 1.43 -0.12 -1.25 -5.12 117.98 109.46 2tbd s PHE 17 Ca 0.13 -0.53 -0.17 0.00 -0.05 0.00 0.00 56.93 56.31 2tbd s PHE 17 Cb 0.18 -0.23 0.02 0.00 -0.63 0.00 0.00 43.02 42.36 2tbd s PHE 17 CO 0.55 -1.02 0.53 -0.51 -0.05 0.00 0.00 175.22 174.73 2tbd s LEU 18 N 1.57 0.10 -0.10 -1.99 1.43 -1.26 -4.55 118.68 113.87 2tbd s LEU 18 Ca 0.16 -0.59 0.10 0.00 -1.03 0.00 0.00 54.13 52.78 2tbd s LEU 18 Cb -0.13 2.13 -0.24 0.00 0.03 0.00 0.00 46.19 47.99 2tbd s LEU 18 CO -0.05 -1.10 0.43 -1.54 0.23 0.00 0.00 176.35 174.31 2tbd n SER 19 N -0.36 0.92 -2.84 2.29 3.41 -1.09 -4.75 113.62 111.20 2tbd n SER 19 Ca -0.08 0.25 -0.22 0.00 -0.26 0.00 0.00 58.87 58.57 2tbd n SER 19 Cb 0.62 0.05 0.03 0.00 -0.26 0.00 0.00 64.21 64.64 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 -3.05 -1.74 -4.14 7.33 -0.00 -1.26 -4.98 115.22 107.37 2tbd n HIS 20 Ca -0.25 0.41 -0.14 0.00 -0.00 0.00 0.00 57.72 57.74 2tbd n HIS 20 Cb 1.07 -4.37 -0.11 0.00 -0.00 0.00 0.00 29.99 26.58 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 -3.15 0.95 -0.09 -1.41 0.00 -1.26 -5.06 121.76 111.75 2tbd s ALA 21 Ca 0.24 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 2tbd s ALA 21 Cb -0.10 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 2tbd s ALA 21 CO 0.29 -0.04 -0.09 0.28 0.00 0.00 0.00 175.76 176.20 2tbd n VAL 22 N 0.77 0.49 -3.00 0.00 0.31 -1.26 -4.62 118.33 111.02 2tbd n VAL 22 Ca -0.18 -0.17 -0.31 0.00 -0.01 0.00 0.00 64.34 63.68 2tbd n VAL 22 Cb 0.57 -1.05 -0.03 0.00 -0.91 0.00 0.00 33.84 32.41 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 -2.95 3.62 -3.29 3.52 3.01 -1.26 -2.95 117.46 117.16 2tbd n PHE 23 Ca -0.16 -3.68 -0.32 0.00 1.01 0.00 0.00 57.45 54.30 2tbd n PHE 23 Cb 0.65 -0.69 -0.06 0.00 -0.01 0.00 0.00 39.48 39.38 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 -2.76 6.70 0.34 4.37 1.04 -1.26 -4.97 113.70 117.16 2tbd s SER 24 Ca 0.44 1.09 0.24 0.00 0.48 0.00 0.00 55.95 58.21 2tbd s SER 24 Cb 0.22 -2.30 0.55 0.00 0.10 0.00 0.00 66.02 64.59 2tbd s SER 24 CO -0.09 -0.12 1.68 -0.55 0.98 0.00 0.00 173.24 175.14 2tbd h ASN 25 N 2.46 0.00 -3.47 7.02 -1.07 -2.03 -3.45 115.58 115.05 2tbd h ASN 25 Ca -0.47 -0.00 -0.52 0.00 0.07 0.00 0.00 56.30 55.37 2tbd h ASN 25 Cb 1.17 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 37.46 2tbd h ASN 25 CO 0.67 0.00 0.63 -0.13 0.07 0.00 0.00 177.43 178.67 2tbd s ARG 26 N -3.16 4.41 -0.12 4.14 3.00 -1.26 -5.00 118.95 120.95 2tbd s ARG 26 Ca 0.09 2.04 -0.12 0.00 0.00 0.00 0.00 55.73 57.73 2tbd s ARG 26 Cb 0.08 -3.19 -0.05 0.00 0.00 0.00 0.00 34.95 31.80 2tbd s ARG 26 CO 0.64 -0.21 0.27 0.95 0.00 0.00 0.00 175.30 176.96 2tbd s THR 27 N -0.10 5.30 0.19 0.02 -4.23 -1.26 -4.62 115.64 110.94 2tbd s THR 27 Ca 0.55 0.51 0.05 0.00 -1.18 0.00 0.00 61.69 61.62 2tbd s THR 27 Cb -0.36 -3.59 -0.05 0.00 1.34 0.00 0.00 72.50 69.84 2tbd s THR 27 CO 0.40 0.48 -0.09 -0.76 -0.54 0.00 0.00 174.62 174.11 2tbd s LEU 28 N -0.14 2.45 0.00 4.79 1.43 -0.18 -4.91 118.68 122.12 2tbd s LEU 28 Ca 0.17 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 2tbd s LEU 28 Cb -0.13 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.66 2tbd s LEU 28 CO 0.05 -0.34 0.84 0.00 0.23 0.00 0.00 176.35 177.14 2tbd n ALA 29 N -0.32 2.16 -3.11 4.21 0.00 -1.26 -0.68 120.51 121.51 2tbd n ALA 29 Ca -0.08 -0.84 -0.26 0.00 0.00 0.00 0.00 53.44 52.26 2tbd n ALA 29 Cb 0.61 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.90 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 0.26 0.13 -0.40 0.00 0.40 -1.08 -2.59 117.98 114.69 2tbd s PHE 31 Ca -0.09 -0.31 -0.07 0.00 -0.60 0.00 0.00 56.93 55.86 2tbd s PHE 31 Cb -0.13 -0.10 0.08 0.00 0.51 0.00 0.00 43.02 43.37 2tbd s PHE 31 CO 0.03 -0.28 0.22 0.00 0.70 0.00 0.00 175.22 175.89 2tbd s ALA 32 N -1.67 3.21 -1.09 5.36 0.00 -0.35 -2.66 121.76 124.56 2tbd s ALA 32 Ca -0.13 -2.16 -0.20 0.00 0.00 0.00 0.00 51.96 49.48 2tbd s ALA 32 Cb -0.07 -2.53 0.09 0.00 0.00 0.00 0.00 23.12 20.61 2tbd s ALA 32 CO -0.00 -1.62 1.45 0.42 0.00 0.00 0.00 175.76 176.00 2tbd s ILE 33 N 1.36 4.30 -0.54 0.00 1.01 -0.21 -2.47 121.20 124.64 2tbd s ILE 33 Ca 0.03 -1.48 -0.28 0.00 0.00 0.00 0.00 60.65 58.92 2tbd s ILE 33 Cb -0.22 -5.01 0.03 0.00 0.01 0.00 0.00 42.46 37.26 2tbd s ILE 33 CO 0.01 -1.82 1.22 -0.47 0.00 0.00 0.00 174.94 173.87 2tbd s TYR 34 N 3.83 2.61 0.10 3.97 5.04 -0.26 -0.86 117.35 131.78 2tbd s TYR 34 Ca 0.45 0.51 -0.04 0.00 -2.44 0.00 0.00 57.07 55.54 2tbd s TYR 34 Cb -0.00 -4.48 -0.03 0.00 0.35 0.00 0.00 41.96 37.80 2tbd s TYR 34 CO -0.04 -1.58 0.10 0.95 -1.34 0.00 0.00 175.55 173.64 2tbd s THR 35 N 4.98 0.14 0.80 4.34 -4.23 -1.06 0.14 115.64 120.77 2tbd s THR 35 Ca 0.46 -1.61 -0.14 0.00 -1.18 0.00 0.00 61.69 59.23 2tbd s THR 35 Cb -0.08 -1.66 0.06 0.00 1.34 0.00 0.00 72.50 72.16 2tbd s THR 35 CO 0.27 -0.66 1.06 0.35 -0.54 0.00 0.00 174.62 175.11 2tbd n THR 36 N -0.04 1.98 -0.30 3.99 -2.24 -1.25 -2.32 114.28 114.09 2tbd n THR 36 Ca -0.11 -0.24 -0.03 0.00 -2.27 0.00 0.00 64.05 61.40 2tbd n THR 36 Cb 0.62 -1.11 0.03 0.00 -2.10 0.00 0.00 70.33 67.77 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 -0.83 -0.07 -0.98 -0.78 2.10 -1.87 0.42 116.57 114.56 2tbd h LYS 37 Ca -0.46 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 58.33 2tbd h LYS 37 Cb 1.31 0.02 -0.09 0.00 -0.90 0.00 0.00 32.23 32.57 2tbd h LYS 37 CO 0.45 -0.05 0.62 0.93 -2.00 0.00 0.00 179.45 179.40 2tbd h GLU 38 N -0.07 0.86 0.16 0.07 4.39 -1.99 -1.80 114.58 116.20 2tbd h GLU 38 Ca 0.30 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 2tbd h GLU 38 Cb 0.58 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2tbd h GLU 38 CO -0.85 0.57 -0.08 0.87 -1.16 0.00 0.00 179.01 178.36 2tbd h LYS 39 N 0.89 -0.20 -0.84 2.33 1.79 -0.49 -3.05 116.57 116.99 2tbd h LYS 39 Ca 0.50 0.01 0.19 0.00 -2.18 0.00 0.00 60.65 59.18 2tbd h LYS 39 Cb 0.62 0.05 -0.15 0.00 -1.58 0.00 0.00 32.23 31.16 2tbd h LYS 39 CO -0.27 -0.14 -0.05 0.00 -1.08 0.00 0.00 179.45 177.91 2tbd h ALA 40 N -1.84 0.81 -0.74 3.86 0.00 -1.29 0.23 119.26 120.29 2tbd h ALA 40 Ca -0.02 0.29 0.15 0.00 0.00 0.00 0.00 54.91 55.33 2tbd h ALA 40 Cb 0.16 0.53 -0.14 0.00 0.00 0.00 0.00 17.79 18.34 2tbd h ALA 40 CO 0.04 -0.45 -0.20 0.00 0.00 0.00 0.00 179.25 178.64 2tbd h ALA 41 N 1.82 0.45 -0.29 0.00 0.00 -1.34 0.28 119.26 120.17 2tbd h ALA 41 Ca 0.46 0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.60 2tbd h ALA 41 Cb 0.82 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2tbd h ALA 41 CO -0.79 -0.43 0.01 -0.07 0.00 0.00 0.00 179.25 177.97 2tbd h LEU 42 N -0.01 0.50 -2.53 0.00 4.07 -0.48 -2.02 115.31 114.83 2tbd h LEU 42 Ca 0.35 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2tbd h LEU 42 Cb 0.55 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2tbd h LEU 42 CO -0.77 0.67 0.04 -0.07 -1.08 0.00 0.00 178.44 177.23 2tbd h LEU 43 N 0.31 0.00 0.09 1.67 -0.00 0.23 0.02 115.31 117.63 2tbd h LEU 43 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 2tbd h LEU 43 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 2tbd h LEU 43 CO 0.01 0.00 -0.04 0.22 -0.00 0.00 0.00 178.44 178.63 2tbd h TYR 44 N 0.00 -0.11 0.00 1.13 3.20 0.19 0.23 116.97 121.61 2tbd h TYR 44 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2tbd h TYR 44 Cb 0.07 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2tbd h TYR 44 CO 0.00 -0.07 0.00 0.87 -1.64 0.00 0.00 178.16 177.32 2tbd h LYS 45 N -0.23 0.00 0.00 1.82 1.57 -1.52 -2.09 116.57 116.12 2tbd h LYS 45 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2tbd h LYS 45 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2tbd h LYS 45 CO 0.02 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 2tbd n LYS 46 N -2.35 0.00 0.10 3.15 4.76 -0.02 -4.20 118.16 119.60 2tbd n LYS 46 Ca 0.00 0.13 0.17 0.00 -2.87 0.00 0.00 58.31 55.74 2tbd n LYS 46 Cb 0.15 -0.50 0.50 0.00 -1.84 0.00 0.00 35.03 33.33 2tbd n LYS 46 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2tbd h ILE 47 N 0.00 0.09 0.00 -0.18 1.08 -0.63 -1.94 117.51 115.93 2tbd h ILE 47 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2tbd h ILE 47 Cb 0.00 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.06 2tbd h ILE 47 CO 0.00 0.00 0.00 0.23 -0.69 0.00 0.00 178.15 177.69 2tbd n MET 48 N -3.12 0.00 0.00 2.37 2.81 -0.79 -0.70 117.12 117.70 2tbd n MET 48 Ca 0.09 0.11 0.09 0.00 -1.81 0.00 0.00 57.70 56.18 2tbd n MET 48 Cb 0.93 -0.77 0.49 0.00 -0.71 0.00 0.00 33.22 33.16 2tbd n MET 48 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2tbd n GLU 49 N -0.38 0.38 0.10 0.03 4.71 -1.14 0.13 120.64 124.46 2tbd n GLU 49 Ca 0.00 0.07 0.03 0.00 -0.01 0.00 0.00 57.16 57.25 2tbd n GLU 49 Cb 0.00 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 28.92 2tbd n GLU 49 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2tbd h LYS 50 N 0.00 0.00 0.00 3.49 1.63 -1.11 -3.38 116.57 117.20 2tbd h LYS 50 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2tbd h LYS 50 Cb 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2tbd h LYS 50 CO 0.00 0.34 -0.06 0.66 -3.45 0.00 0.00 179.45 176.94 2tbd n TYR 51 N -3.03 0.00 -3.55 1.91 4.01 0.12 -4.98 117.16 111.64 2tbd n TYR 51 Ca -0.03 -0.01 -0.24 0.00 -0.16 0.00 0.00 57.90 57.46 2tbd n TYR 51 Cb 0.75 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.74 2tbd n TYR 51 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2tbd n SER 52 N -0.01 -2.37 -3.00 7.72 2.88 0.12 -3.90 113.62 115.06 2tbd n SER 52 Ca 0.00 -0.46 -0.39 0.00 -1.33 0.00 0.00 58.87 56.69 2tbd n SER 52 Cb 0.52 -2.03 -0.05 0.00 -0.75 0.00 0.00 64.21 61.89 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 -3.61 0.00 0.34 2.46 0.24 -1.22 -4.44 118.33 112.10 2tbd n VAL 53 Ca 0.04 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.39 2tbd n VAL 53 Cb 0.50 -0.01 0.26 0.00 -1.47 0.00 0.00 33.84 33.12 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 1.02 1.25 0.00 3.34 -1.04 -1.23 -4.76 114.28 112.86 2tbd n THR 54 Ca 0.13 0.33 0.00 0.00 -2.04 0.00 0.00 64.05 62.48 2tbd n THR 54 Cb 0.05 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 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 -1.60 0.00 -3.69 -1.42 7.35 -1.26 -4.91 117.46 111.93 2tbd n PHE 55 Ca 0.02 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.59 2tbd n PHE 55 Cb 0.13 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.83 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 -1.09 -0.25 -0.12 -2.13 2.07 -1.26 -1.83 121.20 116.60 2tbd s ILE 56 Ca 0.00 0.21 0.03 0.00 -1.41 0.00 0.00 60.65 59.48 2tbd s ILE 56 Cb 0.00 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 42.16 2tbd s ILE 56 CO 0.00 0.09 -0.22 -0.55 -1.91 0.00 0.00 174.94 172.35 2tbd s SER 57 N 1.90 3.25 -0.57 4.50 0.15 -0.30 -2.44 113.70 120.18 2tbd s SER 57 Ca -0.04 -0.54 -0.23 0.00 0.70 0.00 0.00 55.95 55.85 2tbd s SER 57 Cb -0.11 -1.45 0.05 0.00 -1.71 0.00 0.00 66.02 62.80 2tbd s SER 57 CO -0.09 0.13 0.89 -0.60 1.20 0.00 0.00 173.24 174.77 2tbd s ARG 58 N 0.51 3.24 0.20 5.44 3.52 -0.60 -2.08 118.95 129.17 2tbd s ARG 58 Ca -0.14 -0.53 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 2tbd s ARG 58 Cb -0.17 -4.11 0.03 0.00 -1.56 0.00 0.00 34.95 29.14 2tbd s ARG 58 CO 0.05 -1.52 0.23 0.72 -0.81 0.00 0.00 175.30 173.97 2tbd n HIS 59 N 7.29 -2.24 -4.27 5.12 8.25 -1.02 -1.31 115.22 127.04 2tbd n HIS 59 Ca -0.01 -0.75 -0.20 0.00 -0.26 0.00 0.00 57.72 56.49 2tbd n HIS 59 Cb 0.47 -0.18 -0.12 0.00 1.12 0.00 0.00 29.99 31.28 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 -2.20 2.30 0.00 0.41 -0.87 -0.79 -1.61 114.94 112.18 2tbd s ASN 60 Ca 0.18 -0.78 0.00 0.00 -1.57 0.00 0.00 52.86 50.69 2tbd s ASN 60 Cb -0.01 -0.11 0.00 0.00 -0.02 0.00 0.00 41.25 41.11 2tbd s ASN 60 CO 0.11 -0.06 0.00 -0.24 -2.57 0.00 0.00 177.10 174.34 2tbd n SER 61 N 0.65 0.00 0.00 -1.22 2.88 -0.96 -1.72 113.62 113.25 2tbd n SER 61 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2tbd n SER 61 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2tbd n SER 61 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2tbd n TYR 62 N -2.47 -0.08 -1.70 0.66 4.01 -1.26 -4.67 117.16 111.65 2tbd n TYR 62 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2tbd n TYR 62 Cb 0.00 0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 2tbd n TYR 62 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2tbd n ASN 63 N -1.91 0.00 -1.62 7.72 4.13 -1.26 -5.12 115.26 117.20 2tbd n ASN 63 Ca 0.00 -1.38 -0.04 0.00 1.68 0.00 0.00 54.58 54.84 2tbd n ASN 63 Cb 0.00 -0.08 -0.00 0.00 -1.54 0.00 0.00 39.78 38.16 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 0.00 -1.00 -4.39 3.10 8.25 -1.26 -4.69 115.22 115.23 2tbd n HIS 64 Ca 0.00 -0.71 -0.24 0.00 -0.26 0.00 0.00 57.72 56.51 2tbd n HIS 64 Cb 0.58 0.22 -0.13 0.00 1.12 0.00 0.00 29.99 31.78 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 -1.69 2.47 -0.59 0.41 0.02 -0.98 -2.27 114.94 112.31 2tbd s ASN 65 Ca 0.08 -0.63 -0.19 0.00 -1.02 0.00 0.00 52.86 51.10 2tbd s ASN 65 Cb -0.01 -0.15 0.11 0.00 0.02 0.00 0.00 41.25 41.21 2tbd s ASN 65 CO 0.06 0.08 0.70 -0.63 0.02 0.00 0.00 177.10 177.33 2tbd s ILE 66 N -1.05 4.85 -1.11 0.60 1.09 -0.63 -2.55 121.20 122.40 2tbd s ILE 66 Ca 0.06 -1.05 -0.21 0.00 -1.10 0.00 0.00 60.65 58.35 2tbd s ILE 66 Cb -0.10 -4.48 0.03 0.00 -1.06 0.00 0.00 42.46 36.85 2tbd s ILE 66 CO 0.03 -1.12 1.64 -0.22 -0.10 0.00 0.00 174.94 175.18 2tbd s LEU 67 N 2.59 3.54 -0.06 2.97 2.96 -0.04 -2.43 118.68 128.21 2tbd s LEU 67 Ca 0.11 -1.71 -0.30 0.00 -0.22 0.00 0.00 54.13 52.01 2tbd s LEU 67 Cb -0.24 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.85 2tbd s LEU 67 CO 0.06 -1.66 1.11 0.12 -1.32 0.00 0.00 176.35 174.65 2tbd s PHE 68 N 5.80 3.36 -0.07 5.38 5.36 -0.88 -1.05 117.98 135.89 2tbd s PHE 68 Ca 0.53 1.40 -0.07 0.00 -0.96 0.00 0.00 56.93 57.83 2tbd s PHE 68 Cb 0.01 -3.31 0.02 0.00 -0.34 0.00 0.00 43.02 39.39 2tbd s PHE 68 CO -0.01 -0.81 0.20 -0.59 -1.46 0.00 0.00 175.22 172.55 2tbd s PHE 69 N 1.97 -0.20 0.45 10.12 -0.71 -1.09 -1.15 117.98 127.38 2tbd s PHE 69 Ca 0.53 0.47 0.08 0.00 -1.04 0.00 0.00 56.93 56.97 2tbd s PHE 69 Cb -0.22 0.06 0.02 0.00 -1.21 0.00 0.00 43.02 41.67 2tbd s PHE 69 CO 0.21 -0.13 0.56 -1.17 -1.34 0.00 0.00 175.22 173.35 2tbd s LEU 70 N -0.07 3.46 -0.06 -1.99 2.96 -0.76 -2.62 118.68 119.60 2tbd s LEU 70 Ca -0.02 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.26 2tbd s LEU 70 Cb -0.02 -2.28 0.04 0.00 0.50 0.00 0.00 46.19 44.42 2tbd s LEU 70 CO 0.00 -0.85 0.14 0.42 -1.32 0.00 0.00 176.35 174.74 2tbd s THR 71 N -2.45 -0.05 -0.19 3.68 -4.23 0.20 -3.50 115.64 109.09 2tbd s THR 71 Ca 0.54 0.19 0.16 0.00 -1.18 0.00 0.00 61.69 61.40 2tbd s THR 71 Cb -0.07 -0.23 0.09 0.00 1.34 0.00 0.00 72.50 73.63 2tbd s THR 71 CO 0.32 0.08 1.45 1.55 -0.54 0.00 0.00 174.62 177.48 2tbd h PRO 72 N 7.28 0.00 -0.75 3.99 0.13 -1.78 -3.29 132.00 137.57 2tbd h PRO 72 Ca -0.43 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.55 2tbd h PRO 72 Cb 1.14 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.18 2tbd h PRO 72 CO 0.42 0.44 0.19 -2.39 -0.23 0.00 0.00 178.00 176.43 2tbd n HIS 73 N -3.20 2.13 -1.20 1.56 1.44 -1.26 -5.05 115.22 109.64 2tbd n HIS 73 Ca 0.02 -0.98 0.13 0.00 -2.01 0.00 0.00 57.72 54.88 2tbd n HIS 73 Cb 0.71 -0.60 -0.07 0.00 0.12 0.00 0.00 29.99 30.15 2tbd n HIS 73 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2tbd n ARG 74 N 0.06 -2.44 -2.50 -1.40 1.74 -1.24 -5.04 116.66 105.84 2tbd n ARG 74 Ca 0.34 1.98 -0.04 0.00 -0.77 0.00 0.00 57.85 59.35 2tbd n ARG 74 Cb 1.24 -3.00 0.01 0.00 -1.02 0.00 0.00 32.46 29.69 2tbd n ARG 74 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2tbd n HIS 75 N -3.96 -1.60 -4.04 -1.55 8.25 0.14 -4.94 115.22 107.52 2tbd n HIS 75 Ca -0.06 -0.93 -0.24 0.00 -0.26 0.00 0.00 57.72 56.23 2tbd n HIS 75 Cb 0.53 0.46 -0.17 0.00 1.12 0.00 0.00 29.99 31.93 2tbd n HIS 75 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2tbd s ARG 76 N -2.04 1.20 0.61 -0.41 0.52 -1.26 -1.01 118.95 116.55 2tbd s ARG 76 Ca 0.09 -0.16 0.27 0.00 -0.52 0.00 0.00 55.73 55.40 2tbd s ARG 76 Cb -0.02 -1.26 0.95 0.00 0.52 0.00 0.00 34.95 35.14 2tbd s ARG 76 CO 0.06 -0.19 1.33 0.28 0.02 0.00 0.00 175.30 176.80 2tbd h VAL 77 N 6.17 0.02 0.05 3.52 2.07 -1.83 0.87 116.25 127.12 2tbd h VAL 77 Ca -0.29 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2tbd h VAL 77 Cb 1.14 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2tbd h VAL 77 CO 0.40 0.00 -0.03 0.28 0.02 0.00 0.00 177.57 178.24 2tbd h SER 78 N 0.00 -0.06 0.59 0.57 0.02 -1.84 0.12 113.55 112.95 2tbd h SER 78 Ca 0.48 -0.52 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2tbd h SER 78 Cb 2.85 0.02 0.01 0.00 0.14 0.00 0.00 62.40 65.41 2tbd h SER 78 CO -0.01 0.51 -0.28 0.00 -1.14 0.00 0.00 176.83 175.91 2tbd h ALA 79 N 0.19 -0.79 -0.42 3.77 0.00 0.39 -0.99 119.26 121.40 2tbd h ALA 79 Ca -0.01 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2tbd h ALA 79 Cb 0.57 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2tbd h ALA 79 CO 0.01 -0.88 0.29 0.82 0.00 0.00 0.00 179.25 179.49 2tbd h ILE 80 N -0.92 0.95 -0.53 0.00 1.08 -1.43 0.21 117.51 116.87 2tbd h ILE 80 Ca -0.08 -0.11 -0.03 0.00 -0.39 0.00 0.00 64.86 64.25 2tbd h ILE 80 Cb 0.65 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 2tbd h ILE 80 CO 0.13 0.06 0.22 -1.13 -0.69 0.00 0.00 178.15 176.74 2tbd h ASN 81 N 0.32 0.69 -0.95 1.72 -0.00 -0.22 0.08 115.58 117.21 2tbd h ASN 81 Ca 0.19 -0.08 0.06 0.00 -0.00 0.00 0.00 56.30 56.46 2tbd h ASN 81 Cb 0.34 -0.18 -0.06 0.00 -0.00 0.00 0.00 38.32 38.42 2tbd h ASN 81 CO -0.04 0.62 0.61 -1.13 -0.00 0.00 0.00 177.43 177.49 2tbd h ASN 82 N 0.76 0.99 0.00 1.15 -0.73 0.77 0.37 115.58 118.88 2tbd h ASN 82 Ca 0.18 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.36 2tbd h ASN 82 Cb 0.14 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.52 2tbd h ASN 82 CO -0.02 0.64 -0.05 0.22 -0.37 0.00 0.00 177.43 177.85 2tbd h TYR 83 N 1.13 0.00 -1.30 0.67 3.20 -1.26 -2.91 116.97 116.50 2tbd h TYR 83 Ca 0.40 0.00 0.38 0.00 3.14 0.00 0.00 58.73 62.65 2tbd h TYR 83 Cb 0.12 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 2tbd h TYR 83 CO -0.01 0.00 1.16 0.00 -1.64 0.00 0.00 178.16 177.67 2tbd h ALA 84 N -1.72 3.21 0.16 1.82 0.00 -1.09 0.77 119.26 122.40 2tbd h ALA 84 Ca 0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 2tbd h ALA 84 Cb 0.05 0.10 0.03 0.00 0.00 0.00 0.00 17.79 17.97 2tbd h ALA 84 CO 0.00 -1.83 -0.98 0.37 0.00 0.00 0.00 179.25 176.81 2tbd h GLN 85 N 0.00 0.39 -0.24 0.00 5.75 -1.03 -3.07 115.11 116.91 2tbd h GLN 85 Ca 0.62 -0.63 0.07 0.00 -0.15 0.00 0.00 58.65 58.56 2tbd h GLN 85 Cb 2.93 0.23 -0.01 0.00 1.07 0.00 0.00 27.48 31.70 2tbd h GLN 85 CO -0.01 1.29 0.43 -0.22 -2.65 0.00 0.00 178.83 177.67 2tbd h LYS 86 N -0.19 0.00 -2.67 1.69 3.64 0.77 -1.88 116.57 117.93 2tbd h LYS 86 Ca -0.17 0.00 -0.76 0.00 -1.27 0.00 0.00 60.65 58.46 2tbd h LYS 86 Cb 1.76 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 33.43 2tbd h LYS 86 CO 0.19 0.00 2.11 1.28 -2.27 0.00 0.00 179.45 180.76 2tbd n LEU 87 N -3.32 7.75 -0.41 5.20 4.77 -1.00 -4.25 117.00 125.74 2tbd n LEU 87 Ca 0.03 -4.95 0.00 0.00 -0.03 0.00 0.00 56.01 51.07 2tbd n LEU 87 Cb 0.55 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 2tbd n LEU 87 CO 0.21 1.97 0.25 0.00 -1.33 0.00 0.00 177.39 178.49 2tbd n THR 89 N -0.02 0.00 0.00 0.00 -2.24 -1.26 -4.66 114.28 106.10 2tbd n THR 89 Ca 0.00 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2tbd n THR 89 Cb 0.66 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.96 0.00 -1.48 4.78 1.16 -1.26 -4.74 117.46 114.96 2tbd n PHE 90 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2tbd n PHE 90 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2tbd n PHE 90 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2tbd n SER 91 N 0.00 0.00 -4.96 5.98 7.64 -1.26 -5.10 113.62 115.92 2tbd n SER 91 Ca 0.00 -0.11 -0.23 0.00 1.01 0.00 0.00 58.87 59.54 2tbd n SER 91 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 2tbd n SER 91 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2tbd s PHE 92 N 1.26 2.89 -0.03 1.43 -0.12 -1.26 -4.67 117.98 117.48 2tbd s PHE 92 Ca 0.00 0.17 -0.04 0.00 -0.05 0.00 0.00 56.93 57.01 2tbd s PHE 92 Cb 0.00 -2.90 0.01 0.00 -0.63 0.00 0.00 43.02 39.50 2tbd s PHE 92 CO 0.00 -1.05 0.10 -1.17 -0.05 0.00 0.00 175.22 173.05 2tbd s LEU 93 N -4.93 1.63 -0.39 -1.99 0.20 -1.26 -3.93 118.68 108.01 2tbd s LEU 93 Ca 0.58 0.09 0.09 0.00 0.69 0.00 0.00 54.13 55.58 2tbd s LEU 93 Cb -0.10 0.40 0.28 0.00 -0.43 0.00 0.00 46.19 46.33 2tbd s LEU 93 CO 0.41 -0.11 0.59 -0.38 -0.29 0.00 0.00 176.35 176.57 2tbd n ILE 94 N 2.66 -0.44 -3.27 6.68 -0.00 0.12 -4.99 119.36 120.12 2tbd n ILE 94 Ca -0.15 -4.22 -0.39 0.00 -0.00 0.00 0.00 62.75 57.99 2tbd n ILE 94 Cb 0.58 -1.47 -0.07 0.00 -0.00 0.00 0.00 39.64 38.68 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 1.40 1.62 0.10 0.00 3.01 -1.03 -4.94 119.74 119.90 2tbd s LYS 96 Ca 0.24 -1.88 -0.05 0.00 -1.01 0.00 0.00 55.97 53.26 2tbd s LYS 96 Cb -0.15 0.32 -0.05 0.00 -1.01 0.00 0.00 37.83 36.94 2tbd s LYS 96 CO 0.10 -0.59 0.34 0.20 0.51 0.00 0.00 175.35 175.90 2tbd s GLY 97 N -3.30 2.24 0.10 -3.33 0.00 -1.26 -1.21 107.32 100.56 2tbd s GLY 97 Ca 0.39 -0.58 0.10 0.00 0.00 0.00 0.00 44.72 44.63 2tbd s GLY 97 CO 0.23 -0.48 -0.25 0.14 0.00 0.00 0.00 173.10 172.75 2tbd s VAL 98 N -1.55 2.38 -1.33 1.40 1.01 -1.07 -2.69 120.40 118.56 2tbd s VAL 98 Ca 0.37 -1.59 0.24 0.00 0.00 0.00 0.00 61.98 61.01 2tbd s VAL 98 Cb -0.13 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.26 2tbd s VAL 98 CO 0.23 0.17 1.33 0.59 0.00 0.00 0.00 175.10 177.42 2tbd n ASN 99 N 1.13 0.90 -3.11 3.32 4.13 -1.26 -4.61 115.26 115.76 2tbd n ASN 99 Ca -0.17 -0.70 -0.17 0.00 1.68 0.00 0.00 54.58 55.22 2tbd n ASN 99 Cb 0.53 0.38 -0.05 0.00 -1.54 0.00 0.00 39.78 39.09 2tbd n ASN 99 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2tbd s LYS 100 N -2.80 0.97 0.09 3.52 2.47 -1.26 -5.02 119.74 117.72 2tbd s LYS 100 Ca 0.15 -1.63 -0.27 0.00 -1.56 0.00 0.00 55.97 52.65 2tbd s LYS 100 Cb 0.18 -0.80 -0.10 0.00 -1.46 0.00 0.00 37.83 35.64 2tbd s LYS 100 CO 0.67 -1.36 1.44 1.49 0.16 0.00 0.00 175.35 177.75 2tbd h GLU 101 N 5.38 -0.45 -0.56 4.03 4.57 -1.92 -2.29 114.58 123.34 2tbd h GLU 101 Ca 0.17 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.44 2tbd h GLU 101 Cb 1.00 0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 29.62 2tbd h GLU 101 CO 0.21 -0.30 -0.33 0.98 -1.18 0.00 0.00 179.01 178.39 2tbd n TYR 102 N -4.87 -0.25 0.00 0.92 4.19 -1.26 -1.47 117.16 114.42 2tbd n TYR 102 Ca -0.05 0.70 0.00 0.00 3.31 0.00 0.00 57.90 61.87 2tbd n TYR 102 Cb 0.30 -0.52 0.00 0.00 0.49 0.00 0.00 39.34 39.61 2tbd n TYR 102 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 2tbd n LEU 103 N -4.32 0.00 -0.54 2.98 -0.00 -0.89 0.04 117.00 114.27 2tbd n LEU 103 Ca 0.01 0.94 0.44 0.00 -0.00 0.00 0.00 56.01 57.40 2tbd n LEU 103 Cb 0.15 -0.44 0.73 0.00 -0.00 0.00 0.00 43.42 43.86 2tbd n LEU 103 CO -0.09 -0.44 1.34 -0.03 -0.00 0.00 0.00 177.39 178.17 2tbd h MET 104 N 0.00 0.03 0.37 1.96 4.05 -1.00 0.84 114.93 121.18 2tbd h MET 104 Ca 0.00 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2tbd h MET 104 Cb 0.00 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2tbd h MET 104 CO 0.00 0.02 -0.18 -0.92 0.23 0.00 0.00 176.91 176.06 2tbd h TYR 105 N 0.03 -0.46 -0.00 1.39 5.03 0.76 -1.29 116.97 122.43 2tbd h TYR 105 Ca 0.86 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 62.19 2tbd h TYR 105 Cb 3.07 0.15 -0.06 0.00 1.55 0.00 0.00 36.73 41.45 2tbd h TYR 105 CO -0.00 -0.14 -0.45 1.03 -1.32 0.00 0.00 178.16 177.27 2tbd h SER 106 N -0.98 -1.38 -0.35 -2.11 0.87 0.33 0.40 113.55 110.33 2tbd h SER 106 Ca -0.05 0.16 0.10 0.00 -1.23 0.00 0.00 61.79 60.78 2tbd h SER 106 Cb 0.53 0.53 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2tbd h SER 106 CO 0.08 -0.48 0.32 0.00 -0.53 0.00 0.00 176.83 176.22 2tbd h ALA 107 N -0.13 2.14 -0.11 6.23 0.00 -1.48 0.12 119.26 126.02 2tbd h ALA 107 Ca 0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2tbd h ALA 107 Cb 0.67 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2tbd h ALA 107 CO -0.33 -0.50 -0.59 -0.07 0.00 0.00 0.00 179.25 177.76 2tbd h LEU 108 N 0.00 0.42 -0.06 0.00 3.38 0.96 -2.97 115.31 117.04 2tbd h LEU 108 Ca 0.17 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2tbd h LEU 108 Cb 0.80 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2tbd h LEU 108 CO -0.00 0.91 -0.16 0.71 0.09 0.00 0.00 178.44 179.99 2tbd h THR 109 N 0.28 0.28 -3.30 0.22 1.35 0.86 -3.35 112.91 109.24 2tbd h THR 109 Ca -0.00 -1.37 -0.58 0.00 -0.55 0.00 0.00 66.41 63.91 2tbd h THR 109 Cb 1.11 2.11 -0.08 0.00 -1.73 0.00 0.00 68.15 69.57 2tbd h THR 109 CO 0.10 0.16 -0.15 -0.13 -0.25 0.00 0.00 175.52 175.25 2tbd s ARG 110 N -3.15 4.31 0.99 4.72 1.81 -0.75 -4.85 118.95 122.02 2tbd s ARG 110 Ca 0.06 0.44 -0.16 0.00 -1.72 0.00 0.00 55.73 54.34 2tbd s ARG 110 Cb 0.06 -3.42 -0.08 0.00 -0.45 0.00 0.00 34.95 31.06 2tbd s ARG 110 CO 0.69 0.21 -0.40 -0.25 -0.68 0.00 0.00 175.30 174.87 2tbd n ASP 111 N 3.49 -4.40 -0.24 0.23 9.92 -1.26 -2.30 116.55 121.99 2tbd n ASP 111 Ca -0.08 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 2tbd n ASP 111 Cb 0.52 -0.91 0.00 0.00 -0.64 0.00 0.00 41.12 40.09 2tbd n ASP 111 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2tbd n PRO 112 N 0.88 1.01 -2.92 -0.24 -0.04 -1.26 -5.02 135.00 127.41 2tbd n PRO 112 Ca 0.01 -0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2tbd n PRO 112 Cb 0.56 -1.24 -0.05 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.53 3.21 0.54 0.54 0.08 -0.97 -4.68 117.98 115.17 2tbd s PHE 113 Ca 0.00 0.86 -0.02 0.00 0.12 0.00 0.00 56.93 57.90 2tbd s PHE 113 Cb 0.00 -3.24 0.11 0.00 -0.57 0.00 0.00 43.02 39.32 2tbd s PHE 113 CO 0.00 -0.57 0.74 0.43 -0.10 0.00 0.00 175.22 175.72 2tbd n SER 114 N 6.24 0.86 -4.08 1.36 7.64 -0.70 -4.12 113.62 120.82 2tbd n SER 114 Ca 0.04 -1.76 -0.19 0.00 1.01 0.00 0.00 58.87 57.97 2tbd n SER 114 Cb 0.48 -0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 63.05 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 -2.25 0.89 -0.01 0.44 1.01 -1.26 -1.88 120.40 117.34 2tbd s VAL 115 Ca 0.48 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 2tbd s VAL 115 Cb -0.03 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 2tbd s VAL 115 CO 0.32 0.09 -0.07 -0.38 0.00 0.00 0.00 175.10 175.06 2tbd n ILE 116 N 2.36 0.61 -3.40 2.22 5.41 -0.42 -4.84 119.36 121.30 2tbd n ILE 116 Ca -0.16 0.25 -0.02 0.00 1.00 0.00 0.00 62.75 63.82 2tbd n ILE 116 Cb 0.56 -1.53 -0.00 0.00 -0.71 0.00 0.00 39.64 37.95 2tbd n ILE 116 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2tbd n GLU 117 N -3.14 0.18 -3.13 0.38 0.28 -1.03 -4.99 120.64 109.19 2tbd n GLU 117 Ca -0.03 -0.48 0.03 0.00 -0.16 0.00 0.00 57.16 56.52 2tbd n GLU 117 Cb 0.10 0.52 0.01 0.00 1.43 0.00 0.00 31.44 33.50 2tbd n GLU 117 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2tbd n GLU 118 N -0.11 0.02 -0.00 3.44 0.28 -1.26 -1.55 120.64 121.46 2tbd n GLU 118 Ca -0.01 -0.31 0.05 0.00 -0.16 0.00 0.00 57.16 56.73 2tbd n GLU 118 Cb 0.11 0.59 -0.07 0.00 1.43 0.00 0.00 31.44 33.50 2tbd n GLU 118 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2tbd n SER 119 N -0.58 1.70 -4.90 -1.84 7.64 -1.02 -4.95 113.62 109.67 2tbd n SER 119 Ca 0.04 -0.32 -0.30 0.00 1.01 0.00 0.00 58.87 59.29 2tbd n SER 119 Cb 0.32 1.26 -0.04 0.00 -1.01 0.00 0.00 64.21 64.74 2tbd n SER 119 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2tbd s LEU 120 N -3.15 4.14 -1.45 -3.43 1.43 -1.26 -4.97 118.68 109.99 2tbd s LEU 120 Ca -0.00 0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 53.66 2tbd s LEU 120 Cb 0.07 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2tbd s LEU 120 CO 0.41 -0.10 2.36 -0.81 0.23 0.00 0.00 176.35 178.44 2tbd n PRO 121 N -0.51 2.93 0.00 1.29 -0.04 -1.26 -3.55 135.00 133.87 2tbd n PRO 121 Ca -0.02 -2.46 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 2tbd n PRO 121 Cb 0.53 -3.16 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 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 4.02 1.53 0.00 0.55 0.00 -1.26 -5.02 105.19 105.01 2tbd n GLY 122 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 0.21 3.65 -0.02 0.00 -1.23 -5.03 105.19 102.77 2tbd n GLY 123 Ca 0.00 -1.99 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 2tbd n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2tbd s LEU 124 N 0.00 3.26 0.00 0.99 1.43 -1.26 -4.71 118.68 118.39 2tbd s LEU 124 Ca 0.00 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2tbd s LEU 124 Cb 0.00 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.36 2tbd s LEU 124 CO 0.00 0.05 0.00 0.29 0.23 0.00 0.00 176.35 176.92 2tbd n LYS 125 N -0.44 0.00 -0.66 1.70 4.76 -1.26 -4.95 118.16 117.31 2tbd n LYS 125 Ca -0.09 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.25 2tbd n LYS 125 Cb 0.57 0.00 0.12 0.00 -1.84 0.00 0.00 35.03 33.88 2tbd n LYS 125 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2tbd n GLU 126 N 0.00 1.94 0.00 1.97 0.00 -1.26 -4.11 120.64 119.18 2tbd n GLU 126 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 57.16 55.47 2tbd n GLU 126 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 31.44 29.74 2tbd n GLU 126 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2tbd n HIS 127 N -0.29 0.00 -1.15 -1.84 -0.00 -1.26 -4.87 115.22 105.81 2tbd n HIS 127 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.03 2tbd n HIS 127 Cb 1.10 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 30.85 2tbd n HIS 127 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2tbd n ASP 128 N -1.71 0.00 0.06 0.41 8.00 -1.26 -4.83 116.55 117.21 2tbd n ASP 128 Ca 0.00 -1.01 -0.07 0.00 0.71 0.00 0.00 54.79 54.42 2tbd n ASP 128 Cb 0.00 -0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 2tbd n ASP 128 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2tbd h PHE 129 N 0.00 0.01 -3.50 1.24 -1.00 -1.90 -3.43 116.94 108.36 2tbd h PHE 129 Ca 0.00 -0.00 -0.66 0.00 2.81 0.00 0.00 57.97 60.12 2tbd h PHE 129 Cb 1.00 -0.00 -0.26 0.00 3.61 0.00 0.00 35.95 40.30 2tbd h PHE 129 CO 0.00 1.00 -0.68 1.21 -1.61 0.00 0.00 178.31 178.23 2tbd s ASN 130 N -6.72 4.66 1.06 2.17 3.84 -1.26 -4.74 114.94 113.95 2tbd s ASN 130 Ca 0.01 -0.38 -0.18 0.00 0.21 0.00 0.00 52.86 52.52 2tbd s ASN 130 Cb 0.10 -1.81 0.25 0.00 -0.55 0.00 0.00 41.25 39.23 2tbd s ASN 130 CO 0.82 -0.05 1.30 -2.16 -2.79 0.00 0.00 177.10 174.22 2tbd s PRO 131 N 1.52 -0.12 -0.13 0.43 0.04 -1.26 -4.93 135.00 130.55 2tbd s PRO 131 Ca 0.05 -0.45 -0.00 0.00 0.04 0.00 0.00 61.00 60.64 2tbd s PRO 131 Cb -0.15 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.65 2tbd s PRO 131 CO -0.00 -2.91 -0.11 -1.21 0.04 0.00 0.00 177.00 172.80 2tbd s GLU 132 N -5.86 1.88 -0.25 4.56 0.41 -1.26 -4.91 118.70 113.27 2tbd s GLU 132 Ca 0.76 -0.39 -0.09 0.00 -0.41 0.00 0.00 54.97 54.83 2tbd s GLU 132 Cb -0.03 -1.82 0.01 0.00 -1.78 0.00 0.00 34.13 30.51 2tbd s GLU 132 CO 0.54 -0.25 0.21 0.43 -0.49 0.00 0.00 175.26 175.71 2tbd n SER 133 N 4.85 -7.13 0.00 -0.19 7.64 -1.26 -5.33 113.62 112.20 2tbd n SER 133 Ca -0.15 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.42 2tbd n SER 133 Cb 0.50 -3.51 0.00 0.00 -1.01 0.00 0.00 64.21 60.19 2tbd n SER 133 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83