#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 -9.99 0.03 5.15 5.41 -1.25 -4.83 119.36 113.89 1tnn n ILE 2 Ca 0.00 0.67 0.12 0.00 1.00 0.00 0.00 62.75 64.54 1tnn n ILE 2 Cb 0.00 -6.72 0.57 0.00 -0.71 0.00 0.00 39.64 32.78 1tnn n ILE 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1tnn h LEU 3 N 1.83 0.20 -7.11 1.39 4.07 -1.66 -3.42 115.31 110.62 1tnn h LEU 3 Ca -0.08 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.83 1tnn h LEU 3 Cb 1.06 -0.04 -0.24 0.00 1.08 0.00 0.00 40.66 42.52 1tnn h LEU 3 CO 0.22 0.13 -0.14 -0.89 -1.08 0.00 0.00 178.44 176.67 1tnn s THR 4 N -5.23 -0.05 0.25 0.22 2.01 -1.25 -4.94 115.64 106.64 1tnn s THR 4 Ca -0.06 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 1tnn s THR 4 Cb 0.19 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 1tnn s THR 4 CO 0.72 0.02 0.46 -1.59 -0.69 0.00 0.00 174.62 173.54 1tnn s LYS 5 N 1.59 3.55 0.00 4.92 -2.85 -1.26 -2.11 119.74 123.57 1tnn s LYS 5 Ca -0.09 -0.25 0.00 0.00 -1.00 0.00 0.00 55.97 54.63 1tnn s LYS 5 Cb -0.07 -2.76 0.00 0.00 -2.06 0.00 0.00 37.83 32.94 1tnn s LYS 5 CO -0.16 0.32 0.00 -0.35 0.10 0.00 0.00 175.35 175.25 1tnn n PRO 6 N -0.89 0.52 0.00 1.78 -0.04 -1.26 -4.93 135.00 130.17 1tnn n PRO 6 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1tnn n PRO 6 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1tnn n PRO 6 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1tnn n ARG 7 N -0.39 2.61 -4.03 0.54 3.00 -1.26 -5.06 116.66 112.06 1tnn n ARG 7 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 1tnn n ARG 7 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1tnn n ARG 7 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1tnn s SER 8 N 1.00 0.07 0.00 6.15 0.01 -1.26 -4.50 113.70 115.17 1tnn s SER 8 Ca 0.00 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.20 1tnn s SER 8 Cb 0.00 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1tnn s SER 8 CO 0.00 -1.14 0.00 1.15 0.41 0.00 0.00 173.24 173.66 1tnn n MET 9 N -0.40 -1.40 -3.56 12.44 0.00 -0.72 -4.97 117.12 118.51 1tnn n MET 9 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.40 1tnn n MET 9 Cb 0.62 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.70 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 -2.87 0.19 0.00 3.17 2.01 -1.26 -2.64 115.64 114.25 1tnn s THR 10 Ca 0.00 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 60.86 1tnn s THR 10 Cb 0.00 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.34 1tnn s THR 10 CO 0.00 -0.78 0.00 1.33 -0.69 0.00 0.00 174.62 174.48 1tnn n VAL 11 N 4.86 0.00 0.03 3.82 0.24 0.34 -4.86 118.33 122.76 1tnn n VAL 11 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1tnn n VAL 11 Cb 0.41 -1.63 0.00 0.00 -1.47 0.00 0.00 33.84 31.15 1tnn n VAL 11 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1tnn n TYR 12 N -0.13 -0.27 -3.16 6.34 4.02 -1.26 -2.31 117.16 120.40 1tnn n TYR 12 Ca 0.00 0.05 0.05 0.00 -0.01 0.00 0.00 57.90 57.99 1tnn n TYR 12 Cb 0.00 0.11 -0.03 0.00 -0.02 0.00 0.00 39.34 39.41 1tnn n TYR 12 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1tnn s GLU 13 N -2.00 0.02 -1.39 -0.72 -6.30 -1.26 -4.26 118.70 102.80 1tnn s GLU 13 Ca 0.00 0.05 0.00 0.00 -2.50 0.00 0.00 54.97 52.52 1tnn s GLU 13 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 34.13 34.16 1tnn s GLU 13 CO 0.00 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.67 1tnn n GLY 14 N 5.11 1.36 0.00 -1.50 0.00 -1.26 -4.91 105.19 103.99 1tnn n GLY 14 Ca -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1tnn n GLY 14 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1tnn n GLU 15 N -2.32 0.00 0.00 1.61 0.00 -1.26 -4.75 120.64 113.92 1tnn n GLU 15 Ca -0.13 0.26 0.00 0.00 0.00 0.00 0.00 57.16 57.29 1tnn n GLU 15 Cb 0.47 -0.98 0.00 0.00 0.00 0.00 0.00 31.44 30.92 1tnn n GLU 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1tnn n SER 16 N -1.28 0.00 -2.87 4.31 7.64 -1.26 -5.02 113.62 115.14 1tnn n SER 16 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 1tnn n SER 16 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 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 -1.97 -0.89 -1.60 -0.43 0.00 -1.26 -4.15 120.51 110.20 1tnn n ALA 17 Ca 0.00 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.29 1tnn n ALA 17 Cb 0.00 -2.75 0.03 0.00 0.00 0.00 0.00 19.45 16.73 1tnn n ALA 17 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1tnn s ARG 18 N -5.52 3.10 0.19 0.00 1.70 -1.26 -3.22 118.95 113.95 1tnn s ARG 18 Ca 0.21 1.18 -0.15 0.00 -0.47 0.00 0.00 55.73 56.49 1tnn s ARG 18 Cb -0.10 -2.00 0.02 0.00 -0.57 0.00 0.00 34.95 32.29 1tnn s ARG 18 CO 0.25 -0.99 0.47 -0.06 -1.08 0.00 0.00 175.30 173.89 1tnn s PHE 19 N -2.59 0.05 -0.30 5.89 0.08 0.17 -4.92 117.98 116.35 1tnn s PHE 19 Ca 0.63 -0.40 -0.15 0.00 0.12 0.00 0.00 56.93 57.13 1tnn s PHE 19 Cb -0.16 0.27 0.17 0.00 -0.57 0.00 0.00 43.02 42.73 1tnn s PHE 19 CO 0.42 -0.88 0.99 0.45 -0.10 0.00 0.00 175.22 176.10 1tnn s SER 20 N -2.91 -0.58 0.36 1.36 0.15 -1.26 -1.94 113.70 108.87 1tnn s SER 20 Ca 0.12 0.75 0.09 0.00 0.70 0.00 0.00 55.95 57.61 1tnn s SER 20 Cb -0.00 1.64 -0.07 0.00 -1.71 0.00 0.00 66.02 65.89 1tnn s SER 20 CO -0.01 -0.11 -0.06 0.00 1.20 0.00 0.00 173.24 174.26 1tnn s ASP 22 N -3.64 2.02 -0.29 0.00 -1.08 -0.90 -1.67 116.67 111.12 1tnn s ASP 22 Ca 0.33 -1.53 -0.24 0.00 -0.52 0.00 0.00 52.55 50.59 1tnn s ASP 22 Cb 0.04 0.29 0.13 0.00 -1.46 0.00 0.00 42.92 41.93 1tnn s ASP 22 CO 0.17 -0.82 1.09 0.28 0.52 0.00 0.00 175.17 176.41 1tnn s THR 23 N -3.45 0.00 0.24 1.71 -1.32 -1.19 -1.75 115.64 109.88 1tnn s THR 23 Ca 0.33 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.86 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 0.16 0.00 0.36 1.51 -2.21 0.00 0.00 174.62 174.43 1tnn s ASP 24 N 0.28 6.27 0.00 8.08 1.47 -1.26 -4.67 116.67 126.84 1tnn s ASP 24 Ca 0.03 0.05 0.00 0.00 1.18 0.00 0.00 52.55 53.81 1tnn s ASP 24 Cb -0.05 -1.82 0.00 0.00 -0.34 0.00 0.00 42.92 40.71 1tnn s ASP 24 CO -0.08 -0.08 0.00 0.61 0.68 0.00 0.00 175.17 176.30 1tnn n GLY 25 N -1.41 1.54 3.05 2.12 0.00 -1.26 -4.34 105.19 104.90 1tnn n GLY 25 Ca -0.09 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 1.84 0.12 -0.28 1.61 2.12 -1.26 -4.24 118.70 118.62 1tnn s GLU 26 Ca 0.00 0.07 -0.16 0.00 0.36 0.00 0.00 54.97 55.24 1tnn s GLU 26 Cb 0.00 0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.40 1tnn s GLU 26 CO 0.00 -0.21 0.43 -1.25 -0.54 0.00 0.00 175.26 173.69 1tnn s PRO 27 N 2.72 3.98 0.12 4.30 0.04 -1.26 -4.99 135.00 139.91 1tnn s PRO 27 Ca 0.26 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1tnn s PRO 27 Cb -0.00 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1tnn s PRO 27 CO -0.21 -0.34 0.00 0.28 0.04 0.00 0.00 177.00 176.77 1tnn n VAL 28 N 5.16-11.02 -0.06 -0.36 0.31 -1.26 -4.99 118.33 106.11 1tnn n VAL 28 Ca -0.07 2.74 0.00 0.00 -0.01 0.00 0.00 64.34 67.00 1tnn n VAL 28 Cb 0.50 -4.78 0.00 0.00 -0.91 0.00 0.00 33.84 28.65 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 1.89 0.79 -4.64 5.55 -0.04 -1.26 -4.89 135.00 132.39 1tnn n PRO 29 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1tnn n PRO 29 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 1tnn n PRO 29 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1tnn s THR 30 N -0.11 1.21 0.06 0.52 -1.32 -0.89 -5.00 115.64 110.11 1tnn s THR 30 Ca 0.00 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.42 1tnn s THR 30 Cb 0.00 -2.44 -0.01 0.00 -1.51 0.00 0.00 72.50 68.53 1tnn s THR 30 CO 0.00 0.00 0.11 0.54 -2.21 0.00 0.00 174.62 173.06 1tnn s VAL 31 N -2.96 0.16 -0.40 5.08 0.11 -1.26 -2.67 120.40 118.45 1tnn s VAL 31 Ca 0.19 -1.28 0.09 0.00 -2.93 0.00 0.00 61.98 58.06 1tnn s VAL 31 Cb 0.04 -1.21 0.29 0.00 -1.53 0.00 0.00 36.38 33.98 1tnn s VAL 31 CO 0.10 -0.70 0.67 0.41 -3.33 0.00 0.00 175.10 172.24 1tnn n THR 32 N 0.30 -0.40 -1.67 5.04 -1.04 0.29 -4.91 114.28 111.89 1tnn n THR 32 Ca -0.16 -3.86 -0.46 0.00 -2.04 0.00 0.00 64.05 57.52 1tnn n THR 32 Cb 0.61 -0.83 -0.04 0.00 -1.82 0.00 0.00 70.33 68.24 1tnn n THR 32 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1tnn n TRP 33 N 0.95 2.27 -3.62 -1.42 7.02 -1.26 -2.88 117.44 118.50 1tnn n TRP 33 Ca 0.21 0.24 -0.01 0.00 -1.02 0.00 0.00 57.50 56.92 1tnn n TRP 33 Cb 0.60 -2.56 -0.02 0.00 -2.42 0.00 0.00 31.31 26.92 1tnn n TRP 33 CO 0.00 0.00 0.00 -0.48 -2.02 0.00 0.00 177.69 175.19 1tnn s LEU 34 N 1.27 -0.02 -0.31 -0.99 2.34 -0.66 -3.94 118.68 116.37 1tnn s LEU 34 Ca 0.80 -0.01 0.04 0.00 0.06 0.00 0.00 54.13 55.03 1tnn s LEU 34 Cb -0.68 1.06 0.31 0.00 -0.56 0.00 0.00 46.19 46.32 1tnn s LEU 34 CO 0.39 -0.04 1.42 -1.14 -1.06 0.00 0.00 176.35 175.93 1tnn n ARG 35 N -0.14 0.04 -1.93 1.48 0.00 -1.26 -1.89 116.66 112.96 1tnn n ARG 35 Ca 0.01 -0.56 -0.17 0.00 -0.00 0.00 0.00 57.85 57.13 1tnn n ARG 35 Cb 0.58 -0.04 -0.04 0.00 0.00 0.00 0.00 32.46 32.96 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 0.44 -1.63 -0.96 -0.14 0.00 -1.26 -4.79 118.16 109.82 1tnn n LYS 36 Ca -0.09 0.94 0.05 0.00 0.00 0.00 0.00 58.31 59.22 1tnn n LYS 36 Cb 0.76 -5.42 0.12 0.00 0.00 0.00 0.00 35.03 30.49 1tnn n LYS 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1tnn n GLY 37 N -0.61 3.26 2.46 3.14 0.00 -1.26 -4.99 105.19 107.19 1tnn n GLY 37 Ca -0.19 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.42 -2.58 -3.05 1.61 0.00 -1.26 -3.45 117.38 108.24 1tnn n GLN 38 Ca 0.13 0.50 -0.18 0.00 -0.00 0.00 0.00 57.00 57.44 1tnn n GLN 38 Cb 0.88 -4.24 -0.03 0.00 0.00 0.00 0.00 30.24 26.85 1tnn n GLN 38 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1tnn n VAL 39 N -2.66 0.00 0.00 1.69 0.24 -1.26 -4.35 118.33 112.00 1tnn n VAL 39 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1tnn n VAL 39 Cb 0.58 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 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 -2.66 0.00 -3.54 1.34 7.99 -1.22 -4.49 117.00 114.41 1tnn n LEU 40 Ca 0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 56.01 55.87 1tnn n LEU 40 Cb 0.36 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.62 1tnn n LEU 40 CO 0.42 0.00 -0.27 -1.54 -1.51 0.00 0.00 177.39 174.48 1tnn n SER 41 N 1.60 0.51 -3.68 -1.43 3.41 -1.26 -0.57 113.62 112.20 1tnn n SER 41 Ca 0.00 -0.73 -0.31 0.00 -0.26 0.00 0.00 58.87 57.57 1tnn n SER 41 Cb 0.00 -0.91 0.04 0.00 -0.26 0.00 0.00 64.21 63.09 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 -3.05 -5.88 0.04 6.66 -2.24 -1.25 -4.89 114.28 103.67 1tnn n THR 42 Ca -0.19 -0.97 -0.02 0.00 -2.27 0.00 0.00 64.05 60.60 1tnn n THR 42 Cb 0.40 -4.36 -0.01 0.00 -2.10 0.00 0.00 70.33 64.26 1tnn n THR 42 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1tnn h SER 43 N -1.89 -0.13 0.00 3.42 0.02 -1.05 -3.44 113.55 110.48 1tnn h SER 43 Ca -0.66 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 1tnn h SER 43 Cb 1.36 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1tnn h SER 43 CO 0.48 0.15 -0.19 0.00 -1.14 0.00 0.00 176.83 176.13 1tnn n ALA 44 N -2.45 1.39 0.00 3.77 0.00 -1.26 -4.94 120.51 117.01 1tnn n ALA 44 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1tnn n ALA 44 Cb 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1tnn n ALA 44 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1tnn n ARG 45 N 0.00 0.00 -1.79 0.00 1.85 -1.26 -4.95 116.66 110.51 1tnn n ARG 45 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 1tnn n ARG 45 Cb 0.58 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 32.03 1tnn n ARG 45 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1tnn s HIS 46 N 0.00 2.26 -0.75 2.89 3.76 -1.26 -4.30 115.29 117.88 1tnn s HIS 46 Ca 0.00 1.39 0.01 0.00 -0.15 0.00 0.00 55.06 56.31 1tnn s HIS 46 Cb 0.00 -3.78 0.36 0.00 1.11 0.00 0.00 32.58 30.27 1tnn s HIS 46 CO 0.00 -2.88 1.66 0.94 -0.85 0.00 0.00 174.74 173.61 1tnn n GLN 47 N -1.14 3.46 -2.43 1.40 7.27 -0.34 -3.95 117.38 121.64 1tnn n GLN 47 Ca 0.11 -4.10 -0.39 0.00 0.07 0.00 0.00 57.00 52.69 1tnn n GLN 47 Cb 0.45 -2.30 -0.03 0.00 2.41 0.00 0.00 30.24 30.77 1tnn n GLN 47 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1tnn s VAL 48 N -5.00 3.43 -0.27 1.69 1.01 -1.26 -2.75 120.40 117.24 1tnn s VAL 48 Ca 0.48 1.26 -0.04 0.00 0.00 0.00 0.00 61.98 63.69 1tnn s VAL 48 Cb 0.37 -3.74 0.15 0.00 0.00 0.00 0.00 36.38 33.16 1tnn s VAL 48 CO -0.28 0.17 0.51 0.42 0.00 0.00 0.00 175.10 175.92 1tnn s THR 49 N -1.38 -0.82 0.29 3.92 -4.23 0.60 -4.48 115.64 109.53 1tnn s THR 49 Ca 0.52 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.92 1tnn s THR 49 Cb -0.29 -0.89 -0.07 0.00 1.34 0.00 0.00 72.50 72.58 1tnn s THR 49 CO 0.37 -0.03 0.63 -0.89 -0.54 0.00 0.00 174.62 174.16 1tnn s THR 50 N 2.73 4.85 0.45 3.99 2.01 -1.26 -0.83 115.64 127.58 1tnn s THR 50 Ca 0.11 0.59 0.04 0.00 0.31 0.00 0.00 61.69 62.74 1tnn s THR 50 Cb -0.14 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 68.76 1tnn s THR 50 CO -0.18 -0.19 0.30 0.35 -0.69 0.00 0.00 174.62 174.21 1tnn n THR 51 N -0.43 0.00 0.14 -0.82 -2.24 0.26 -4.85 114.28 106.34 1tnn n THR 51 Ca 0.01 -1.84 -0.11 0.00 -2.27 0.00 0.00 64.05 59.85 1tnn n THR 51 Cb 0.53 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 1tnn n THR 51 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1tnn h LYS 52 N 0.00 -0.55 -0.60 -0.78 1.57 -2.01 -3.19 116.57 111.01 1tnn h LYS 52 Ca -0.30 0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.34 1tnn h LYS 52 Cb 1.06 0.13 -0.11 0.00 0.08 0.00 0.00 32.23 33.39 1tnn h LYS 52 CO 0.47 -0.37 0.18 0.98 -0.57 0.00 0.00 179.45 180.14 1tnn n TYR 53 N -4.31 1.98 -3.19 -1.35 9.36 -1.26 -4.90 117.16 113.49 1tnn n TYR 53 Ca -0.07 -1.22 0.00 0.00 3.32 0.00 0.00 57.90 59.93 1tnn n TYR 53 Cb 0.28 -0.60 0.00 0.00 -0.63 0.00 0.00 39.34 38.39 1tnn n TYR 53 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1tnn n LYS 54 N -0.40 0.00 -3.85 2.98 2.85 -1.21 -3.15 118.16 115.38 1tnn n LYS 54 Ca 0.37 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.53 1tnn n LYS 54 Cb 1.25 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 35.57 1tnn n LYS 54 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1tnn s SER 55 N -0.12 0.03 0.02 -5.58 0.15 -0.67 -0.57 113.70 106.96 1tnn s SER 55 Ca 0.00 -0.66 -0.02 0.00 0.70 0.00 0.00 55.95 55.97 1tnn s SER 55 Cb 0.00 0.39 -0.01 0.00 -1.71 0.00 0.00 66.02 64.69 1tnn s SER 55 CO 0.00 -0.81 0.02 -0.89 1.20 0.00 0.00 173.24 172.76 1tnn s THR 56 N -3.88 0.10 -0.09 6.45 2.01 -0.01 -1.45 115.64 118.77 1tnn s THR 56 Ca 0.08 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.21 1tnn s THR 56 Cb 0.04 -0.31 0.05 0.00 0.01 0.00 0.00 72.50 72.29 1tnn s THR 56 CO -0.08 -0.46 0.17 0.12 -0.69 0.00 0.00 174.62 173.68 1tnn s PHE 57 N -1.43 -0.20 -0.32 4.92 5.36 -0.82 -0.29 117.98 125.21 1tnn s PHE 57 Ca -0.16 0.63 0.02 0.00 -0.96 0.00 0.00 56.93 56.47 1tnn s PHE 57 Cb -0.09 -0.23 0.10 0.00 -0.34 0.00 0.00 43.02 42.46 1tnn s PHE 57 CO -0.00 -0.27 0.06 -2.00 -1.46 0.00 0.00 175.22 171.55 1tnn s GLU 58 N 2.22 1.18 -1.03 10.12 -6.30 -1.11 0.43 118.70 124.21 1tnn s GLU 58 Ca 0.02 -1.46 -0.23 0.00 -2.50 0.00 0.00 54.97 50.79 1tnn s GLU 58 Cb -0.12 -2.65 -0.03 0.00 0.00 0.00 0.00 34.13 31.33 1tnn s GLU 58 CO -0.06 -0.93 1.85 0.42 0.02 0.00 0.00 175.26 176.56 1tnn s ILE 59 N 1.24 3.60 0.12 -3.70 1.01 -1.20 -1.20 121.20 121.08 1tnn s ILE 59 Ca 0.09 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1tnn s ILE 59 Cb -0.18 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 1tnn s ILE 59 CO -0.15 -1.20 0.21 -0.94 0.00 0.00 0.00 174.94 172.86 1tnn s SER 60 N 6.84 6.07 -1.12 3.58 1.04 -1.26 -4.32 113.70 124.52 1tnn s SER 60 Ca 0.65 0.10 -0.02 0.00 0.48 0.00 0.00 55.95 57.16 1tnn s SER 60 Cb -0.03 -1.77 0.01 0.00 0.10 0.00 0.00 66.02 64.34 1tnn s SER 60 CO 0.02 0.10 0.12 -1.54 0.98 0.00 0.00 173.24 172.92 1tnn n SER 61 N -0.20 -3.98 -4.63 7.02 3.41 -1.26 -4.60 113.62 109.37 1tnn n SER 61 Ca -0.07 0.06 -0.44 0.00 -0.26 0.00 0.00 58.87 58.16 1tnn n SER 61 Cb 0.53 -3.36 -0.01 0.00 -0.26 0.00 0.00 64.21 61.11 1tnn n SER 61 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1tnn n VAL 62 N -3.55 1.98 0.00 -3.33 3.14 -1.26 -4.91 118.33 110.39 1tnn n VAL 62 Ca -0.12 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 1tnn n VAL 62 Cb 0.60 -1.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.16 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 0.68 -0.08 -0.33 1.45 7.27 -1.26 -4.64 117.38 120.47 1tnn n GLN 63 Ca 0.08 0.00 0.25 0.00 0.07 0.00 0.00 57.00 57.40 1tnn n GLN 63 Cb 0.33 0.00 0.54 0.00 2.41 0.00 0.00 30.24 33.52 1tnn n GLN 63 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1tnn h ALA 64 N -1.97 2.34 -0.30 1.69 0.00 -1.99 -3.41 119.26 115.63 1tnn h ALA 64 Ca 0.00 0.06 0.25 0.00 0.00 0.00 0.00 54.91 55.22 1tnn h ALA 64 Cb 0.00 0.05 -0.23 0.00 0.00 0.00 0.00 17.79 17.61 1tnn h ALA 64 CO 0.00 -0.77 0.29 -1.12 0.00 0.00 0.00 179.25 177.65 1tnn s SER 65 N -5.18 -0.28 0.00 0.00 0.01 -1.26 -5.01 113.70 101.99 1tnn s SER 65 Ca -0.08 0.25 0.19 0.00 1.31 0.00 0.00 55.95 57.62 1tnn s SER 65 Cb 0.26 1.26 0.16 0.00 0.21 0.00 0.00 66.02 67.91 1tnn s SER 65 CO 0.80 -0.05 1.12 0.47 0.41 0.00 0.00 173.24 175.99 1tnn n ASP 66 N 5.18 2.63 0.00 2.44 8.00 -1.26 -4.98 116.55 128.56 1tnn n ASP 66 Ca -0.08 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.61 1tnn n ASP 66 Cb 0.54 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1tnn n ASP 66 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1tnn n GLU 67 N 1.09 0.00 0.00 -1.24 0.28 -1.26 -4.57 120.64 114.94 1tnn n GLU 67 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 1tnn n GLU 67 Cb 0.48 -0.75 0.00 0.00 1.43 0.00 0.00 31.44 32.60 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 0.00 1.71 3.51 -1.84 0.00 -0.51 -2.23 105.19 105.83 1tnn n GLY 68 Ca 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 1.53 -0.31 -4.04 1.61 4.13 -1.26 -2.89 115.26 114.03 1tnn n ASN 69 Ca 0.00 -0.45 -0.22 0.00 1.68 0.00 0.00 54.58 55.59 1tnn n ASN 69 Cb 0.00 -0.85 -0.16 0.00 -1.54 0.00 0.00 39.78 37.23 1tnn n ASN 69 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1tnn s TYR 70 N 5.25 1.15 0.06 3.10 2.02 -0.17 -4.64 117.35 124.12 1tnn s TYR 70 Ca 1.26 -0.30 0.08 0.00 -0.37 0.00 0.00 57.07 57.74 1tnn s TYR 70 Cb -0.84 -0.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 1tnn s TYR 70 CO 0.47 -0.12 -0.22 -1.12 -1.57 0.00 0.00 175.55 172.99 1tnn s SER 71 N 0.16 2.70 -0.36 2.29 0.01 -0.79 -1.87 113.70 115.83 1tnn s SER 71 Ca -0.03 -0.58 -0.11 0.00 1.31 0.00 0.00 55.95 56.54 1tnn s SER 71 Cb -0.09 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.94 1tnn s SER 71 CO 0.01 0.17 0.20 0.54 0.41 0.00 0.00 173.24 174.56 1tnn s VAL 72 N -0.88 4.59 -0.40 3.43 0.11 0.16 -1.66 120.40 125.75 1tnn s VAL 72 Ca 0.09 -0.77 -0.19 0.00 -2.93 0.00 0.00 61.98 58.18 1tnn s VAL 72 Cb -0.09 -3.52 0.01 0.00 -1.53 0.00 0.00 36.38 31.25 1tnn s VAL 72 CO 0.03 -0.17 0.56 -0.69 -3.33 0.00 0.00 175.10 171.49 1tnn s VAL 73 N 1.57 4.95 -0.08 2.04 1.01 -1.14 -0.47 120.40 128.28 1tnn s VAL 73 Ca 0.03 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1tnn s VAL 73 Cb -0.19 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 1tnn s VAL 73 CO 0.07 -0.43 -0.16 -0.69 0.00 0.00 0.00 175.10 173.89 1tnn s VAL 74 N 2.53 2.83 0.48 2.92 1.01 -0.07 0.10 120.40 130.20 1tnn s VAL 74 Ca 0.19 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1tnn s VAL 74 Cb -0.15 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1tnn s VAL 74 CO 0.16 0.57 0.16 -0.62 0.00 0.00 0.00 175.10 175.36 1tnn n GLU 75 N 2.83 0.82 -3.11 2.72 1.02 -1.09 -0.86 120.64 122.98 1tnn n GLU 75 Ca -0.18 -3.27 -0.17 0.00 -0.02 0.00 0.00 57.16 53.52 1tnn n GLU 75 Cb 0.52 0.66 -0.02 0.00 -0.02 0.00 0.00 31.44 32.59 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 -1.52 0.12 -1.88 1.62 5.15 -0.75 -2.09 115.26 115.91 1tnn n ASN 76 Ca -0.12 -3.06 0.00 0.00 -0.60 0.00 0.00 54.58 50.80 1tnn n ASN 76 Cb 0.58 -0.17 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 1tnn n ASN 76 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1tnn n SER 77 N 0.55 -0.59 0.00 1.20 2.88 -1.26 -2.94 113.62 113.46 1tnn n SER 77 Ca 0.21 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1tnn n SER 77 Cb 0.64 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 1tnn n SER 77 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1tnn n GLU 78 N -1.88 0.00 -3.58 -1.46 2.13 -1.26 -5.14 120.64 109.45 1tnn n GLU 78 Ca 0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 1tnn n GLU 78 Cb 0.29 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.02 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 2.54 3.43 8.31 0.00 -1.15 -5.15 105.19 113.17 1tnn n GLY 79 Ca 0.00 -2.28 -0.16 0.00 0.00 0.00 0.00 46.02 43.58 1tnn n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tnn s LYS 80 N -4.33 0.93 0.04 1.61 -2.85 -1.26 -1.81 119.74 112.07 1tnn s LYS 80 Ca 0.39 0.12 -0.04 0.00 -1.00 0.00 0.00 55.97 55.44 1tnn s LYS 80 Cb -0.03 0.43 0.01 0.00 -2.06 0.00 0.00 37.83 36.19 1tnn s LYS 80 CO 0.25 -0.28 0.20 0.00 0.10 0.00 0.00 175.35 175.62 1tnn n GLN 81 N 1.06 0.14 -2.27 1.78 0.00 -0.04 -4.97 117.38 113.07 1tnn n GLN 81 Ca -0.20 -0.31 0.00 0.00 0.00 0.00 0.00 57.00 56.50 1tnn n GLN 81 Cb 0.57 0.41 0.00 0.00 0.00 0.00 0.00 30.24 31.22 1tnn n GLN 81 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1tnn n GLU 82 N -0.14 0.07 -3.86 2.61 0.28 -1.26 -0.90 120.64 117.44 1tnn n GLU 82 Ca -0.01 -0.23 -0.09 0.00 -0.16 0.00 0.00 57.16 56.67 1tnn n GLU 82 Cb 0.12 0.35 -0.05 0.00 1.43 0.00 0.00 31.44 33.29 1tnn n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1tnn s ALA 83 N -1.24 -0.59 -0.22 -1.84 0.00 0.37 -4.91 121.76 113.33 1tnn s ALA 83 Ca 0.07 -0.54 -0.18 0.00 0.00 0.00 0.00 51.96 51.31 1tnn s ALA 83 Cb -0.00 0.92 0.06 0.00 0.00 0.00 0.00 23.12 24.09 1tnn s ALA 83 CO 0.00 -0.81 0.57 -1.83 0.00 0.00 0.00 175.76 173.69 1tnn s GLU 84 N -3.94 0.64 0.21 0.00 -1.05 -1.26 -0.67 118.70 112.63 1tnn s GLU 84 Ca 0.15 0.86 -0.05 0.00 -0.15 0.00 0.00 54.97 55.78 1tnn s GLU 84 Cb -0.01 0.25 0.02 0.00 -0.44 0.00 0.00 34.13 33.95 1tnn s GLU 84 CO 0.02 -0.10 0.36 1.97 0.95 0.00 0.00 175.26 178.46 1tnn n PHE 85 N 3.22 -1.38 -3.75 4.83 -1.74 -0.78 -4.97 117.46 112.88 1tnn n PHE 85 Ca -0.16 -1.18 -0.13 0.00 -0.56 0.00 0.00 57.45 55.41 1tnn n PHE 85 Cb 0.56 0.41 -0.10 0.00 1.52 0.00 0.00 39.48 41.88 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 -2.58 0.02 -0.58 1.97 -4.23 -1.26 -1.00 115.64 107.98 1tnn s THR 86 Ca 0.13 -0.17 0.04 0.00 -1.18 0.00 0.00 61.69 60.51 1tnn s THR 86 Cb -0.02 -0.55 0.14 0.00 1.34 0.00 0.00 72.50 73.41 1tnn s THR 86 CO 0.09 -0.09 0.34 -0.76 -0.54 0.00 0.00 174.62 173.66 1tnn s LEU 87 N -0.38 4.50 0.22 4.79 2.01 -1.14 -1.75 118.68 126.93 1tnn s LEU 87 Ca -0.05 -3.28 -0.27 0.00 0.01 0.00 0.00 54.13 50.53 1tnn s LEU 87 Cb -0.03 -1.65 -0.09 0.00 0.01 0.00 0.00 46.19 44.43 1tnn s LEU 87 CO 0.02 -0.19 0.87 -0.89 1.01 0.00 0.00 176.35 177.17 1tnn s THR 88 N -0.66 4.23 -0.67 5.49 2.01 -0.95 -1.42 115.64 123.66 1tnn s THR 88 Ca 0.20 1.87 0.05 0.00 0.31 0.00 0.00 61.69 64.11 1tnn s THR 88 Cb -0.19 -4.19 0.26 0.00 0.01 0.00 0.00 72.50 68.38 1tnn s THR 88 CO -0.05 0.45 0.81 2.30 -0.69 0.00 0.00 174.62 177.44 1tnn n ILE 89 N 1.38 2.61 -2.94 1.82 -0.00 -1.25 0.13 119.36 121.11 1tnn n ILE 89 Ca -0.03 -5.29 -0.03 0.00 -0.00 0.00 0.00 62.75 57.40 1tnn n ILE 89 Cb 0.48 -2.09 0.00 0.00 -0.00 0.00 0.00 39.64 38.03 1tnn n ILE 89 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 1tnn n GLN 90 N 0.86 -2.23 0.00 6.28 0.00 -0.98 -4.70 117.38 116.61 1tnn n GLN 90 Ca 0.30 1.98 0.00 0.00 -0.00 0.00 0.00 57.00 59.28 1tnn n GLN 90 Cb 0.40 -3.74 0.00 0.00 0.00 0.00 0.00 30.24 26.90 1tnn n GLN 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69