#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tnn n ILE 2 N 0.00 -9.44 -0.09 5.15 5.41 -1.26 -4.92 119.36 114.20 1tnn n ILE 2 Ca 0.00 3.06 -0.12 0.00 1.00 0.00 0.00 62.75 66.69 1tnn n ILE 2 Cb 0.00 -4.45 -0.11 0.00 -0.71 0.00 0.00 39.64 34.36 1tnn n ILE 2 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1tnn n LEU 3 N 1.16 1.55 -3.70 1.39 4.77 -0.78 -4.81 117.00 116.57 1tnn n LEU 3 Ca 0.00 -0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.81 1tnn n LEU 3 Cb 0.00 -0.19 -0.12 0.00 -2.33 0.00 0.00 43.42 40.78 1tnn n LEU 3 CO 0.00 0.64 -0.01 -0.89 -1.33 0.00 0.00 177.39 175.81 1tnn s THR 4 N -2.42 -0.05 0.27 -5.08 2.01 -1.25 -4.96 115.64 104.16 1tnn s THR 4 Ca -0.19 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 61.85 1tnn s THR 4 Cb 0.06 -0.53 -0.06 0.00 0.01 0.00 0.00 72.50 71.98 1tnn s THR 4 CO 0.58 0.05 0.57 -0.54 -0.69 0.00 0.00 174.62 174.59 1tnn s LYS 5 N 1.41 3.73 -0.01 4.92 1.02 -1.26 -2.03 119.74 127.51 1tnn s LYS 5 Ca -0.09 0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.77 1tnn s LYS 5 Cb -0.09 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 1tnn s LYS 5 CO -0.11 0.24 1.12 -1.25 -0.92 0.00 0.00 175.35 174.43 1tnn s PRO 6 N -3.21 4.44 0.00 -1.68 0.04 -1.26 -4.90 135.00 128.42 1tnn s PRO 6 Ca 0.46 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1tnn s PRO 6 Cb -0.11 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1tnn s PRO 6 CO 0.26 -0.27 0.00 2.89 0.04 0.00 0.00 177.00 179.92 1tnn n ARG 7 N 4.45 1.32 -3.96 4.56 1.85 -1.26 -4.79 116.66 118.83 1tnn n ARG 7 Ca 0.09 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.77 1tnn n ARG 7 Cb 0.48 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.83 1tnn n ARG 7 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1tnn n SER 8 N 0.00 -0.86 0.00 2.89 7.64 -1.26 -4.63 113.62 117.39 1tnn n SER 8 Ca 0.00 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 56.96 1tnn n SER 8 Cb 0.00 1.82 0.00 0.00 -1.01 0.00 0.00 64.21 65.02 1tnn n SER 8 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1tnn n MET 9 N -0.57 -1.86 -3.62 1.43 0.00 -0.70 -4.97 117.12 106.82 1tnn n MET 9 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.52 1tnn n MET 9 Cb 0.55 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.60 1tnn n MET 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1tnn s THR 10 N -2.72 -0.13 0.31 3.17 2.01 -1.26 -2.67 115.64 114.35 1tnn s THR 10 Ca 0.00 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.11 1tnn s THR 10 Cb 0.00 -0.42 0.03 0.00 0.01 0.00 0.00 72.50 72.12 1tnn s THR 10 CO 0.00 -0.09 0.23 1.33 -0.69 0.00 0.00 174.62 175.40 1tnn n VAL 11 N 5.29 0.00 -0.02 3.82 0.24 -0.57 -4.90 118.33 122.19 1tnn n VAL 11 Ca -0.05 -1.22 -0.06 0.00 -2.04 0.00 0.00 64.34 60.97 1tnn n VAL 11 Cb 0.49 -0.24 -0.13 0.00 -1.47 0.00 0.00 33.84 32.50 1tnn n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tnn n TYR 12 N -1.22 0.78 -0.39 6.34 9.36 -1.26 -2.01 117.16 128.76 1tnn n TYR 12 Ca -0.01 0.28 0.00 0.00 3.32 0.00 0.00 57.90 61.48 1tnn n TYR 12 Cb 0.35 -1.10 0.00 0.00 -0.63 0.00 0.00 39.34 37.96 1tnn n TYR 12 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1tnn n GLU 13 N -2.92 0.00 -0.36 2.98 0.28 -1.26 -0.75 120.64 118.61 1tnn n GLU 13 Ca -0.17 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.79 1tnn n GLU 13 Cb 1.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.88 1tnn n GLU 13 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1tnn n GLY 14 N 0.00 2.56 0.23 -1.84 0.00 -1.26 -4.18 105.19 100.70 1tnn n GLY 14 Ca 0.00 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 45.99 1tnn n GLY 14 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tnn h GLU 15 N 0.60 0.00 0.00 1.61 4.39 -1.91 -3.38 114.58 115.89 1tnn h GLU 15 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1tnn h GLU 15 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1tnn h GLU 15 CO 0.14 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.42 1tnn n SER 16 N -2.92 0.00 -4.08 1.42 7.64 -1.26 -5.04 113.62 109.38 1tnn n SER 16 Ca 0.02 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 1tnn n SER 16 Cb 0.35 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.55 1tnn n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tnn n ALA 17 N -3.00 -1.36 -2.67 -0.43 0.00 -1.26 -4.01 120.51 107.78 1tnn n ALA 17 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1tnn n ALA 17 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 19.45 15.80 1tnn n ALA 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1tnn s ARG 18 N -6.77 4.30 -0.63 0.00 3.52 -1.26 -3.60 118.95 114.50 1tnn s ARG 18 Ca 0.63 1.09 0.05 0.00 -0.13 0.00 0.00 55.73 57.36 1tnn s ARG 18 Cb -0.33 -3.58 0.17 0.00 -1.56 0.00 0.00 34.95 29.64 1tnn s ARG 18 CO 0.89 -0.37 0.46 -0.06 -0.81 0.00 0.00 175.30 175.40 1tnn s PHE 19 N 2.29 2.98 -0.00 5.12 0.40 -0.70 -4.93 117.98 123.13 1tnn s PHE 19 Ca 0.40 -3.10 -0.16 0.00 -0.60 0.00 0.00 56.93 53.47 1tnn s PHE 19 Cb -0.16 -2.28 -0.06 0.00 0.51 0.00 0.00 43.02 41.03 1tnn s PHE 19 CO 0.12 -0.61 0.44 -1.54 0.70 0.00 0.00 175.22 174.33 1tnn s SER 20 N -1.09 6.83 0.33 1.36 1.04 -1.26 -1.95 113.70 118.96 1tnn s SER 20 Ca 0.27 0.99 0.05 0.00 0.48 0.00 0.00 55.95 57.74 1tnn s SER 20 Cb -0.03 -2.27 -0.02 0.00 0.10 0.00 0.00 66.02 63.80 1tnn s SER 20 CO -0.17 0.28 0.18 0.00 0.98 0.00 0.00 173.24 174.51 1tnn s ASP 22 N -3.12 1.62 -0.28 0.00 2.15 -0.86 -2.55 116.67 113.63 1tnn s ASP 22 Ca 0.26 -1.14 -0.21 0.00 0.43 0.00 0.00 52.55 51.89 1tnn s ASP 22 Cb 0.01 0.04 0.09 0.00 -0.30 0.00 0.00 42.92 42.76 1tnn s ASP 22 CO 0.18 -0.47 0.80 0.28 -0.17 0.00 0.00 175.17 175.79 1tnn s THR 23 N -3.47 0.00 0.26 1.71 -1.32 -0.89 -1.87 115.64 110.06 1tnn s THR 23 Ca 0.23 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.76 1tnn s THR 23 Cb 0.05 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.01 1tnn s THR 23 CO 0.04 0.00 0.39 1.51 -2.21 0.00 0.00 174.62 174.35 1tnn s ASP 24 N 0.84 6.24 0.02 8.08 1.47 -1.26 -4.63 116.67 127.42 1tnn s ASP 24 Ca -0.03 0.02 -0.03 0.00 1.18 0.00 0.00 52.55 53.69 1tnn s ASP 24 Cb -0.05 -1.72 0.01 0.00 -0.34 0.00 0.00 42.92 40.82 1tnn s ASP 24 CO -0.09 -0.16 0.12 0.61 0.68 0.00 0.00 175.17 176.34 1tnn n GLY 25 N -1.47 1.16 3.05 2.12 0.00 -1.26 -4.05 105.19 104.74 1tnn n GLY 25 Ca -0.07 -0.94 0.03 0.00 0.00 0.00 0.00 46.02 45.05 1tnn n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tnn s GLU 26 N -2.01 0.37 -0.20 1.61 -6.30 -1.26 -3.88 118.70 107.04 1tnn s GLU 26 Ca 0.03 0.08 -0.20 0.00 -2.50 0.00 0.00 54.97 52.38 1tnn s GLU 26 Cb -0.00 0.10 -0.03 0.00 0.00 0.00 0.00 34.13 34.19 1tnn s GLU 26 CO 0.01 -0.61 0.58 -1.25 0.02 0.00 0.00 175.26 174.00 1tnn s PRO 27 N 2.42 4.19 0.25 4.30 0.04 -1.26 -4.90 135.00 140.05 1tnn s PRO 27 Ca 0.18 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1tnn s PRO 27 Cb -0.02 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.94 1tnn s PRO 27 CO -0.18 -0.21 0.00 0.28 0.04 0.00 0.00 177.00 176.93 1tnn n VAL 28 N 4.66 -8.72 -0.13 -0.36 0.31 -1.25 -4.96 118.33 107.88 1tnn n VAL 28 Ca -0.03 2.70 0.00 0.00 -0.01 0.00 0.00 64.34 67.00 1tnn n VAL 28 Cb 0.50 -4.01 0.00 0.00 -0.91 0.00 0.00 33.84 29.42 1tnn n VAL 28 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1tnn n PRO 29 N 1.29 0.69 -4.20 5.55 -0.04 -1.26 -4.61 135.00 132.43 1tnn n PRO 29 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1tnn n PRO 29 Cb 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 1tnn n PRO 29 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1tnn s THR 30 N -0.19 1.00 0.06 0.52 2.01 -0.89 -4.83 115.64 113.33 1tnn s THR 30 Ca 0.00 -1.77 0.05 0.00 0.31 0.00 0.00 61.69 60.28 1tnn s THR 30 Cb 0.00 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 1tnn s THR 30 CO 0.00 -0.62 -0.13 0.54 -0.69 0.00 0.00 174.62 173.72 1tnn s VAL 31 N -2.73 1.00 -0.41 3.82 0.11 -1.26 -0.15 120.40 120.76 1tnn s VAL 31 Ca 0.09 -1.25 0.04 0.00 -2.93 0.00 0.00 61.98 57.93 1tnn s VAL 31 Cb -0.01 -0.97 0.17 0.00 -1.53 0.00 0.00 36.38 34.03 1tnn s VAL 31 CO -0.00 -0.25 0.38 -0.89 -3.33 0.00 0.00 175.10 171.01 1tnn s THR 32 N -1.28 0.04 0.21 5.04 2.01 0.14 -4.93 115.64 116.88 1tnn s THR 32 Ca -0.03 -2.09 -0.30 0.00 0.31 0.00 0.00 61.69 59.57 1tnn s THR 32 Cb -0.10 -0.99 -0.10 0.00 0.01 0.00 0.00 72.50 71.33 1tnn s THR 32 CO 0.02 -0.96 1.45 0.26 -0.69 0.00 0.00 174.62 174.71 1tnn s TRP 33 N 0.48 3.07 0.00 4.92 0.52 -1.26 -1.97 118.94 124.69 1tnn s TRP 33 Ca 0.29 0.94 0.00 0.00 0.02 0.00 0.00 56.10 57.35 1tnn s TRP 33 Cb -0.03 -3.81 0.00 0.00 -1.15 0.00 0.00 33.47 28.48 1tnn s TRP 33 CO -0.13 -2.75 0.00 1.47 0.02 0.00 0.00 176.95 175.57 1tnn n LEU 34 N 2.89 0.00 -2.66 2.99 -0.00 -0.42 -1.69 117.00 118.10 1tnn n LEU 34 Ca 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.06 1tnn n LEU 34 Cb 0.40 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.87 1tnn n LEU 34 CO 0.60 0.00 0.57 -1.14 -0.00 0.00 0.00 177.39 177.42 1tnn n ARG 35 N -0.08 0.04 -1.71 1.47 0.00 -1.26 -2.16 116.66 112.95 1tnn n ARG 35 Ca 0.00 -0.60 -0.16 0.00 -0.00 0.00 0.00 57.85 57.09 1tnn n ARG 35 Cb 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 32.46 32.64 1tnn n ARG 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1tnn n LYS 36 N 2.25 -1.52 -0.37 -0.14 4.81 -1.26 -4.75 118.16 117.18 1tnn n LYS 36 Ca 0.08 0.88 0.06 0.00 -0.87 0.00 0.00 58.31 58.46 1tnn n LYS 36 Cb 0.68 -5.26 0.10 0.00 0.02 0.00 0.00 35.03 30.56 1tnn n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tnn n GLY 37 N -0.45 3.36 3.60 3.14 0.00 -1.26 -5.00 105.19 108.58 1tnn n GLY 37 Ca -0.17 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.78 1tnn n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1tnn n GLN 38 N -0.84 -1.97 -1.44 1.61 7.27 -1.26 -4.55 117.38 116.19 1tnn n GLN 38 Ca 0.11 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.74 1tnn n GLN 38 Cb 0.70 -4.64 0.00 0.00 2.41 0.00 0.00 30.24 28.71 1tnn n GLN 38 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1tnn n VAL 39 N -3.99 -2.77 0.00 1.69 0.24 -1.26 -4.90 118.33 107.34 1tnn n VAL 39 Ca -0.12 1.32 0.00 0.00 -2.04 0.00 0.00 64.34 63.50 1tnn n VAL 39 Cb 0.61 -1.97 0.00 0.00 -1.47 0.00 0.00 33.84 31.01 1tnn n VAL 39 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1tnn n LEU 40 N -1.75 0.29 0.00 1.34 4.32 -0.68 -4.80 117.00 115.72 1tnn n LEU 40 Ca 0.00 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 1tnn n LEU 40 Cb 0.18 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.55 1tnn n LEU 40 CO 0.00 -0.43 0.00 -1.54 -1.22 0.00 0.00 177.39 174.20 1tnn n SER 41 N -1.97 0.00 -3.18 -1.43 3.41 -1.26 -3.47 113.62 105.72 1tnn n SER 41 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1tnn n SER 41 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1tnn n SER 41 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1tnn n THR 42 N 0.00 4.36 0.00 6.66 -2.24 -1.26 -3.27 114.28 118.53 1tnn n THR 42 Ca 0.00 -5.50 0.00 0.00 -2.27 0.00 0.00 64.05 56.28 1tnn n THR 42 Cb 0.00 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 66.80 1tnn n THR 42 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1tnn n SER 43 N -0.24 0.00 0.00 3.42 7.64 -1.23 -4.89 113.62 118.32 1tnn n SER 43 Ca 0.42 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1tnn n SER 43 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1tnn n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tnn n ALA 44 N -1.29 -0.11 -2.02 -0.43 0.00 -1.26 -4.64 120.51 110.77 1tnn n ALA 44 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1tnn n ALA 44 Cb 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 1tnn n ALA 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1tnn n ARG 45 N -1.79 0.00 -3.36 0.00 0.63 -1.26 -5.03 116.66 105.84 1tnn n ARG 45 Ca 0.00 -0.83 -0.22 0.00 -0.92 0.00 0.00 57.85 55.88 1tnn n ARG 45 Cb 0.00 0.37 0.04 0.00 0.45 0.00 0.00 32.46 33.32 1tnn n ARG 45 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1tnn s HIS 46 N 0.00 1.46 -0.37 -0.14 3.76 -1.26 -4.10 115.29 114.64 1tnn s HIS 46 Ca 0.01 -0.78 0.13 0.00 -0.15 0.00 0.00 55.06 54.28 1tnn s HIS 46 Cb 0.01 -2.09 0.43 0.00 1.11 0.00 0.00 32.58 32.04 1tnn s HIS 46 CO -0.01 -0.91 0.95 0.94 -0.85 0.00 0.00 174.74 174.87 1tnn n GLN 47 N -2.07 1.78 -0.54 1.40 7.27 0.55 -4.48 117.38 121.29 1tnn n GLN 47 Ca 0.09 -3.66 -0.30 0.00 0.07 0.00 0.00 57.00 53.20 1tnn n GLN 47 Cb 0.63 -1.61 0.22 0.00 2.41 0.00 0.00 30.24 31.89 1tnn n GLN 47 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1tnn n VAL 48 N -0.12 0.00 -2.84 1.69 0.31 -1.20 -2.65 118.33 113.52 1tnn n VAL 48 Ca 0.20 -0.37 -0.01 0.00 -0.01 0.00 0.00 64.34 64.15 1tnn n VAL 48 Cb 0.73 -0.80 0.01 0.00 -0.91 0.00 0.00 33.84 32.88 1tnn n VAL 48 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1tnn s THR 49 N -2.29 -0.53 0.91 2.52 -1.32 0.21 -4.73 115.64 110.41 1tnn s THR 49 Ca 0.62 -0.24 -0.12 0.00 -1.21 0.00 0.00 61.69 60.75 1tnn s THR 49 Cb -0.18 0.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.95 1tnn s THR 49 CO 0.65 0.00 1.09 -0.89 -2.21 0.00 0.00 174.62 173.26 1tnn s THR 50 N 1.48 2.59 0.29 5.08 2.01 -1.26 -2.00 115.64 123.82 1tnn s THR 50 Ca 0.20 0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.39 1tnn s THR 50 Cb 0.04 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.92 1tnn s THR 50 CO -0.10 -0.25 0.39 0.41 -0.69 0.00 0.00 174.62 174.38 1tnn n THR 51 N -3.96 0.00 -0.10 -0.82 -1.04 0.36 -4.85 114.28 103.87 1tnn n THR 51 Ca 0.07 -1.54 -0.05 0.00 -2.04 0.00 0.00 64.05 60.49 1tnn n THR 51 Cb 0.55 0.93 -0.04 0.00 -1.82 0.00 0.00 70.33 69.95 1tnn n THR 51 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1tnn h LYS 52 N 0.00 -0.07 0.00 -2.82 1.63 -2.00 -3.23 116.57 110.08 1tnn h LYS 52 Ca -0.22 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.58 1tnn h LYS 52 Cb 1.00 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 1tnn h LYS 52 CO 0.31 -0.05 -0.07 0.66 -3.45 0.00 0.00 179.45 176.84 1tnn n TYR 53 N -3.73 0.00 -3.73 1.91 4.02 -1.26 -4.77 117.16 109.60 1tnn n TYR 53 Ca -0.00 -0.85 -0.13 0.00 -0.01 0.00 0.00 57.90 56.91 1tnn n TYR 53 Cb 0.11 -0.13 -0.10 0.00 -0.02 0.00 0.00 39.34 39.20 1tnn n TYR 53 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1tnn s LYS 54 N -2.43 0.53 -0.04 -0.72 1.02 -1.22 -2.11 119.74 114.77 1tnn s LYS 54 Ca 0.27 0.42 0.02 0.00 0.02 0.00 0.00 55.97 56.70 1tnn s LYS 54 Cb 0.24 0.25 0.01 0.00 -0.52 0.00 0.00 37.83 37.81 1tnn s LYS 54 CO 0.03 -0.09 -0.10 0.45 -0.92 0.00 0.00 175.35 174.71 1tnn s SER 55 N -0.12 1.46 -0.03 2.83 0.15 -1.06 0.14 113.70 117.07 1tnn s SER 55 Ca -0.03 -0.23 0.04 0.00 0.70 0.00 0.00 55.95 56.43 1tnn s SER 55 Cb -0.03 -0.54 -0.00 0.00 -1.71 0.00 0.00 66.02 63.74 1tnn s SER 55 CO 0.02 0.05 -0.17 -0.89 1.20 0.00 0.00 173.24 173.45 1tnn s THR 56 N 0.43 1.36 -0.31 6.45 2.01 -0.85 -1.54 115.64 123.20 1tnn s THR 56 Ca -0.08 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.12 1tnn s THR 56 Cb -0.12 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 1tnn s THR 56 CO 0.02 0.39 0.18 0.12 -0.69 0.00 0.00 174.62 174.64 1tnn s PHE 57 N -0.05 3.19 -0.19 4.92 5.36 -0.82 0.64 117.98 131.04 1tnn s PHE 57 Ca -0.01 -0.29 -0.02 0.00 -0.96 0.00 0.00 56.93 55.65 1tnn s PHE 57 Cb -0.10 -2.38 -0.00 0.00 -0.34 0.00 0.00 43.02 40.19 1tnn s PHE 57 CO 0.01 -0.35 -0.10 -2.00 -1.46 0.00 0.00 175.22 171.32 1tnn s GLU 58 N 1.68 3.29 -0.55 10.12 -6.30 -1.09 -1.73 118.70 124.13 1tnn s GLU 58 Ca 0.06 -0.69 -0.14 0.00 -2.50 0.00 0.00 54.97 51.70 1tnn s GLU 58 Cb -0.17 -2.80 0.14 0.00 0.00 0.00 0.00 34.13 31.30 1tnn s GLU 58 CO 0.08 -0.09 0.48 0.42 0.02 0.00 0.00 175.26 176.18 1tnn s ILE 59 N 1.12 4.97 -0.32 -3.70 1.01 -1.24 -0.33 121.20 122.72 1tnn s ILE 59 Ca 0.01 -1.67 0.16 0.00 0.00 0.00 0.00 60.65 59.14 1tnn s ILE 59 Cb -0.14 -4.19 0.61 0.00 0.01 0.00 0.00 42.46 38.74 1tnn s ILE 59 CO -0.03 -0.86 1.51 -0.24 0.00 0.00 0.00 174.94 175.32 1tnn n SER 60 N 5.03 4.37 -1.98 3.58 2.88 -1.26 -4.21 113.62 122.04 1tnn n SER 60 Ca -0.10 -2.89 -0.01 0.00 -1.33 0.00 0.00 58.87 54.54 1tnn n SER 60 Cb 0.41 -0.56 0.01 0.00 -0.75 0.00 0.00 64.21 63.32 1tnn n SER 60 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1tnn n SER 61 N -0.03 -0.52 -4.53 -3.46 2.88 -1.26 -4.79 113.62 101.91 1tnn n SER 61 Ca 0.23 -1.35 -0.47 0.00 -1.33 0.00 0.00 58.87 55.94 1tnn n SER 61 Cb 0.94 0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 64.75 1tnn n SER 61 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1tnn n VAL 62 N -0.35 1.57 -0.00 2.46 3.14 -1.26 -4.83 118.33 119.06 1tnn n VAL 62 Ca -0.10 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 1tnn n VAL 62 Cb 0.59 -0.65 0.00 0.00 -1.06 0.00 0.00 33.84 32.73 1tnn n VAL 62 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1tnn n GLN 63 N 1.14 0.89 -0.66 1.45 7.27 -1.26 -4.74 117.38 121.46 1tnn n GLN 63 Ca 0.14 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.27 1tnn n GLN 63 Cb 0.27 0.00 0.31 0.00 2.41 0.00 0.00 30.24 33.23 1tnn n GLN 63 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1tnn n ALA 64 N -3.00 3.45 0.00 1.69 0.00 -1.26 -4.68 120.51 116.71 1tnn n ALA 64 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 51.99 1tnn n ALA 64 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1tnn n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1tnn n SER 65 N 0.60 0.00 0.00 0.00 3.41 -1.26 -4.93 113.62 111.43 1tnn n SER 65 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1tnn n SER 65 Cb 0.94 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 1tnn n SER 65 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1tnn n ASP 66 N 0.00 0.51 -0.57 4.04 9.92 -1.26 -5.13 116.55 124.06 1tnn n ASP 66 Ca 0.00 -0.84 0.05 0.00 -0.53 0.00 0.00 54.79 53.47 1tnn n ASP 66 Cb 0.00 0.16 -0.02 0.00 -0.64 0.00 0.00 41.12 40.62 1tnn n ASP 66 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1tnn n GLU 67 N -0.16 -0.85 0.00 -1.24 0.28 -1.26 -4.89 120.64 112.52 1tnn n GLU 67 Ca 0.00 0.60 0.00 0.00 -0.16 0.00 0.00 57.16 57.60 1tnn n GLU 67 Cb 0.06 -1.19 0.00 0.00 1.43 0.00 0.00 31.44 31.75 1tnn n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1tnn n GLY 68 N -2.04 -0.07 0.00 -1.84 0.00 -0.96 -4.59 105.19 95.69 1tnn n GLY 68 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1tnn n GLY 68 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tnn n ASN 69 N -1.18 0.00 -4.38 1.61 3.02 -1.25 -3.24 115.26 109.85 1tnn n ASN 69 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 1tnn n ASN 69 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1tnn n ASN 69 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1tnn s TYR 70 N 0.00 2.62 0.08 3.10 2.02 0.13 -4.68 117.35 120.63 1tnn s TYR 70 Ca 0.00 -0.45 0.07 0.00 -0.37 0.00 0.00 57.07 56.32 1tnn s TYR 70 Cb 0.00 -1.66 -0.03 0.00 -0.40 0.00 0.00 41.96 39.87 1tnn s TYR 70 CO 0.00 -0.03 -0.19 -1.12 -1.57 0.00 0.00 175.55 172.64 1tnn s SER 71 N -0.32 2.24 -0.33 2.29 0.01 -0.92 -0.65 113.70 116.01 1tnn s SER 71 Ca 0.02 -0.63 -0.04 0.00 1.31 0.00 0.00 55.95 56.61 1tnn s SER 71 Cb -0.13 -0.12 0.06 0.00 0.21 0.00 0.00 66.02 66.04 1tnn s SER 71 CO 0.02 0.04 0.08 0.54 0.41 0.00 0.00 173.24 174.33 1tnn s VAL 72 N -1.11 3.37 -0.50 3.43 0.11 -0.75 -1.31 120.40 123.64 1tnn s VAL 72 Ca 0.04 -1.39 -0.26 0.00 -2.93 0.00 0.00 61.98 57.45 1tnn s VAL 72 Cb -0.10 -2.98 0.03 0.00 -1.53 0.00 0.00 36.38 31.80 1tnn s VAL 72 CO 0.03 -0.23 0.97 -0.69 -3.33 0.00 0.00 175.10 171.85 1tnn s VAL 73 N 1.30 4.38 -0.28 2.04 1.01 -0.83 -1.31 120.40 126.70 1tnn s VAL 73 Ca -0.02 0.69 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 1tnn s VAL 73 Cb -0.20 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.68 1tnn s VAL 73 CO 0.00 -0.97 0.06 -0.69 0.00 0.00 0.00 175.10 173.51 1tnn s VAL 74 N 3.98 3.91 0.00 2.92 1.01 -0.13 0.28 120.40 132.37 1tnn s VAL 74 Ca 0.37 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1tnn s VAL 74 Cb -0.10 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1tnn s VAL 74 CO 0.25 0.14 0.00 -0.62 0.00 0.00 0.00 175.10 174.87 1tnn n GLU 75 N 4.86 0.99 -2.82 2.72 1.02 0.78 -0.96 120.64 127.23 1tnn n GLU 75 Ca -0.15 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.88 1tnn n GLU 75 Cb 0.48 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.97 1tnn n GLU 75 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1tnn n ASN 76 N -1.70 -1.55 -2.01 1.62 5.15 -0.46 -2.10 115.26 114.21 1tnn n ASN 76 Ca 0.00 -3.44 0.00 0.00 -0.60 0.00 0.00 54.58 50.54 1tnn n ASN 76 Cb 0.00 1.27 0.00 0.00 -0.53 0.00 0.00 39.78 40.52 1tnn n ASN 76 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1tnn n SER 77 N 0.26 -0.69 0.00 1.20 3.41 -1.26 -2.89 113.62 113.65 1tnn n SER 77 Ca 0.09 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1tnn n SER 77 Cb 0.71 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1tnn n SER 77 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1tnn n GLU 78 N -2.00 0.00 -4.14 4.33 2.13 -1.26 -5.03 120.64 114.66 1tnn n GLU 78 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 1tnn n GLU 78 Cb 0.34 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.03 1tnn n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tnn n GLY 79 N 0.00 3.07 3.19 8.31 0.00 -1.14 -5.15 105.19 113.47 1tnn n GLY 79 Ca 0.00 -2.33 -0.12 0.00 0.00 0.00 0.00 46.02 43.57 1tnn n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1tnn s LYS 80 N -4.07 0.34 0.17 1.61 2.36 -1.26 -1.35 119.74 117.54 1tnn s LYS 80 Ca 0.19 0.55 0.02 0.00 -2.55 0.00 0.00 55.97 54.17 1tnn s LYS 80 Cb -0.01 0.07 -0.01 0.00 -1.05 0.00 0.00 37.83 36.83 1tnn s LYS 80 CO 0.12 -0.10 0.19 1.04 1.55 0.00 0.00 175.35 178.15 1tnn n GLN 81 N 3.52 0.27 -3.53 4.03 1.13 -0.13 -4.84 117.38 117.83 1tnn n GLN 81 Ca -0.18 -1.52 -0.10 0.00 -1.94 0.00 0.00 57.00 53.26 1tnn n GLN 81 Cb 0.56 1.34 -0.03 0.00 0.11 0.00 0.00 30.24 32.22 1tnn n GLN 81 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1tnn s GLU 82 N -2.53 0.77 -0.32 -1.09 4.04 -1.26 -0.95 118.70 117.36 1tnn s GLU 82 Ca 0.17 -0.12 -0.02 0.00 0.04 0.00 0.00 54.97 55.04 1tnn s GLU 82 Cb 0.00 0.36 0.11 0.00 0.02 0.00 0.00 34.13 34.62 1tnn s GLU 82 CO 0.12 -0.30 0.16 0.00 -1.84 0.00 0.00 175.26 173.40 1tnn s ALA 83 N -2.36 0.86 0.51 -0.84 0.00 -0.43 -4.92 121.76 114.60 1tnn s ALA 83 Ca 0.02 -1.45 -0.12 0.00 0.00 0.00 0.00 51.96 50.41 1tnn s ALA 83 Cb -0.01 -1.50 -0.06 0.00 0.00 0.00 0.00 23.12 21.55 1tnn s ALA 83 CO -0.04 -1.82 0.92 -1.83 0.00 0.00 0.00 175.76 172.99 1tnn s GLU 84 N 1.65 3.75 0.00 0.00 4.04 -1.26 -1.81 118.70 125.07 1tnn s GLU 84 Ca 0.12 0.67 0.00 0.00 0.04 0.00 0.00 54.97 55.80 1tnn s GLU 84 Cb -0.19 -2.22 0.00 0.00 0.02 0.00 0.00 34.13 31.75 1tnn s GLU 84 CO -0.22 -0.29 0.00 1.97 -1.84 0.00 0.00 175.26 174.88 1tnn n PHE 85 N -1.95 -0.72 -3.67 4.83 -1.74 0.17 -4.93 117.46 109.46 1tnn n PHE 85 Ca 0.05 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.85 1tnn n PHE 85 Cb 0.54 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.44 1tnn n PHE 85 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1tnn s THR 86 N -2.77 -0.51 -0.53 1.97 -4.23 -1.26 0.18 115.64 108.49 1tnn s THR 86 Ca 0.00 0.15 0.04 0.00 -1.18 0.00 0.00 61.69 60.69 1tnn s THR 86 Cb 0.00 -0.66 0.13 0.00 1.34 0.00 0.00 72.50 73.31 1tnn s THR 86 CO 0.00 0.06 0.28 -0.22 -0.54 0.00 0.00 174.62 174.20 1tnn s LEU 87 N 2.34 4.38 0.98 4.79 2.96 -1.20 -1.73 118.68 131.21 1tnn s LEU 87 Ca -0.04 -3.03 -0.16 0.00 -0.22 0.00 0.00 54.13 50.69 1tnn s LEU 87 Cb -0.11 -1.65 0.20 0.00 0.50 0.00 0.00 46.19 45.12 1tnn s LEU 87 CO -0.13 -0.24 1.25 -0.89 -1.32 0.00 0.00 176.35 175.03 1tnn s THR 88 N -0.31 1.93 -0.04 3.68 2.01 -1.09 -2.26 115.64 119.55 1tnn s THR 88 Ca 0.17 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.08 1tnn s THR 88 Cb -0.25 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.39 1tnn s THR 88 CO -0.01 0.00 0.21 0.27 -0.69 0.00 0.00 174.62 174.41 1tnn s ILE 89 N -3.65 0.04 -0.84 1.82 -0.00 -1.24 -1.51 121.20 115.82 1tnn s ILE 89 Ca 0.71 -0.34 -0.03 0.00 -0.00 0.00 0.00 60.65 60.99 1tnn s ILE 89 Cb -0.07 -0.42 0.21 0.00 -0.00 0.00 0.00 42.46 42.18 1tnn s ILE 89 CO 0.53 -0.19 0.72 -1.58 -0.00 0.00 0.00 174.94 174.43 1tnn s GLN 90 N -0.70 3.20 0.00 0.37 2.00 0.07 -4.91 119.66 119.69 1tnn s GLN 90 Ca -0.08 -3.04 0.00 0.00 -2.00 0.00 0.00 55.36 50.24 1tnn s GLN 90 Cb -0.04 -3.98 0.00 0.00 0.80 0.00 0.00 33.01 29.79 1tnn s GLN 90 CO 0.02 -1.24 0.24 0.36 -0.50 0.00 0.00 175.29 174.16