#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 -9.83 -0.34 0.55 2.08 -1.26 -4.86 119.36 105.70 1tnn n ILE 2 Ca 0.00 0.73 -0.02 0.00 0.56 0.00 0.00 62.75 64.01 1tnn n ILE 2 Cb 0.00 -6.63 0.12 0.00 -0.75 0.00 0.00 39.64 32.38 1tnn n ILE 2 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1tnn h LEU 3 N 1.97 1.10 -7.00 1.39 4.07 -1.33 -3.44 115.31 112.07 1tnn h LEU 3 Ca -0.10 -0.06 0.01 0.00 0.08 0.00 0.00 57.88 57.81 1tnn h LEU 3 Cb 1.07 -0.28 -0.22 0.00 1.08 0.00 0.00 40.66 42.32 1tnn h LEU 3 CO 0.21 0.84 0.14 -0.89 -1.08 0.00 0.00 178.44 177.66 1tnn s THR 4 N -5.96 0.00 0.10 0.22 2.01 -1.16 -4.95 115.64 105.90 1tnn s THR 4 Ca -0.13 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.83 1tnn s THR 4 Cb 0.17 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 1tnn s THR 4 CO 0.82 0.00 0.32 -0.54 -0.69 0.00 0.00 174.62 174.53 1tnn s LYS 5 N 0.98 3.57 0.20 4.92 3.01 -1.26 -2.25 119.74 128.92 1tnn s LYS 5 Ca -0.05 -0.16 -0.30 0.00 -1.01 0.00 0.00 55.97 54.45 1tnn s LYS 5 Cb -0.05 -2.94 -0.09 0.00 -1.01 0.00 0.00 37.83 33.74 1tnn s LYS 5 CO -0.10 0.54 1.29 -1.25 0.51 0.00 0.00 175.35 176.34 1tnn s PRO 6 N -2.43 4.40 0.00 -1.68 0.04 -1.26 -4.99 135.00 129.09 1tnn s PRO 6 Ca 0.37 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1tnn s PRO 6 Cb -0.13 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1tnn s PRO 6 CO 0.24 -0.22 0.00 0.54 0.04 0.00 0.00 177.00 177.60 1tnn n ARG 7 N 2.51 1.15 -3.80 4.56 3.00 -1.26 -4.61 116.66 118.20 1tnn n ARG 7 Ca 0.05 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.75 1tnn n ARG 7 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.85 1tnn n ARG 7 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1tnn n SER 8 N 0.00 -1.12 0.00 0.55 7.64 -1.26 -4.45 113.62 114.98 1tnn n SER 8 Ca 0.00 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.11 1tnn n SER 8 Cb 0.00 2.15 0.00 0.00 -1.01 0.00 0.00 64.21 65.35 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 -0.53 -1.20 -4.55 1.43 0.00 -0.59 -4.96 117.12 106.72 1tnn n MET 9 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.44 1tnn n MET 9 Cb 0.53 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.59 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 -3.00 1.45 -0.10 3.17 2.01 -1.26 -2.81 115.64 115.10 1tnn s THR 10 Ca 0.00 -0.63 -0.00 0.00 0.31 0.00 0.00 61.69 61.37 1tnn s THR 10 Cb 0.00 -1.32 0.02 0.00 0.01 0.00 0.00 72.50 71.21 1tnn s THR 10 CO 0.00 0.43 -0.07 0.68 -0.69 0.00 0.00 174.62 174.97 1tnn s VAL 11 N 0.86 0.91 0.12 3.82 -7.23 -0.72 -4.90 120.40 113.27 1tnn s VAL 11 Ca -0.10 -0.24 -0.33 0.00 -1.81 0.00 0.00 61.98 59.51 1tnn s VAL 11 Cb -0.15 -0.94 -0.12 0.00 0.56 0.00 0.00 36.38 35.73 1tnn s VAL 11 CO 0.01 0.34 1.54 1.88 -0.31 0.00 0.00 175.10 178.56 1tnn h TYR 12 N 8.01 -1.65 -0.27 2.82 -1.99 -1.82 -3.31 116.97 118.76 1tnn h TYR 12 Ca -0.29 0.07 0.25 0.00 2.00 0.00 0.00 58.73 60.76 1tnn h TYR 12 Cb 1.14 0.76 -0.28 0.00 2.00 0.00 0.00 36.73 40.35 1tnn h TYR 12 CO 0.48 -0.50 0.53 -2.00 -0.00 0.00 0.00 178.16 176.67 1tnn s GLU 13 N -5.62 0.06 -1.67 4.88 2.12 -1.26 -2.28 118.70 114.93 1tnn s GLU 13 Ca -0.14 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.32 1tnn s GLU 13 Cb 0.08 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.54 1tnn s GLU 13 CO 0.60 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.71 1tnn n GLY 14 N 4.46 1.19 0.10 -1.50 0.00 -1.26 -4.79 105.19 103.39 1tnn n GLY 14 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 1tnn n GLY 14 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1tnn h GLU 15 N 0.00 0.09 0.00 1.61 4.22 -1.90 -3.46 114.58 115.13 1tnn h GLU 15 Ca -0.34 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1tnn h GLU 15 Cb 1.10 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1tnn h GLU 15 CO 0.48 0.95 0.00 0.43 -2.18 0.00 0.00 179.01 178.69 1tnn n SER 16 N -3.54 0.00 -2.64 1.04 7.64 -1.26 -5.02 113.62 109.84 1tnn n SER 16 Ca -0.02 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.77 1tnn n SER 16 Cb 0.85 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 64.05 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 0.00 -0.92 -1.58 -0.43 0.00 -1.26 -4.39 120.51 111.93 1tnn n ALA 17 Ca 0.00 0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.17 1tnn n ALA 17 Cb 0.00 -1.22 0.05 0.00 0.00 0.00 0.00 19.45 18.28 1tnn n ALA 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1tnn s ARG 18 N -5.20 2.97 0.10 0.00 0.52 -1.26 -3.22 118.95 112.86 1tnn s ARG 18 Ca 0.07 0.98 -0.17 0.00 -0.52 0.00 0.00 55.73 56.09 1tnn s ARG 18 Cb -0.04 -1.99 0.04 0.00 0.52 0.00 0.00 34.95 33.47 1tnn s ARG 18 CO 0.09 -1.07 0.41 -0.06 0.02 0.00 0.00 175.30 174.68 1tnn s PHE 19 N -3.00 -0.23 -0.30 -0.53 0.08 0.17 -4.94 117.98 109.24 1tnn s PHE 19 Ca 0.58 0.00 -0.08 0.00 0.12 0.00 0.00 56.93 57.55 1tnn s PHE 19 Cb -0.14 0.25 0.14 0.00 -0.57 0.00 0.00 43.02 42.70 1tnn s PHE 19 CO 0.53 -0.66 0.65 0.45 -0.10 0.00 0.00 175.22 176.09 1tnn s SER 20 N -2.55 -1.18 0.35 1.36 0.15 -1.26 -1.56 113.70 109.01 1tnn s SER 20 Ca 0.00 1.41 0.08 0.00 0.70 0.00 0.00 55.95 58.15 1tnn s SER 20 Cb 0.01 2.26 -0.04 0.00 -1.71 0.00 0.00 66.02 66.54 1tnn s SER 20 CO -0.09 -0.22 0.15 0.00 1.20 0.00 0.00 173.24 174.28 1tnn s ASP 22 N -3.86 1.79 -0.24 0.00 2.15 -0.95 -0.94 116.67 114.61 1tnn s ASP 22 Ca 0.38 -0.53 -0.20 0.00 0.43 0.00 0.00 52.55 52.63 1tnn s ASP 22 Cb -0.02 -0.10 0.07 0.00 -0.30 0.00 0.00 42.92 42.57 1tnn s ASP 22 CO 0.23 0.01 0.63 0.42 -0.17 0.00 0.00 175.17 176.29 1tnn s THR 23 N -1.01 -0.00 0.59 1.71 -4.23 -0.99 -0.86 115.64 110.84 1tnn s THR 23 Ca 0.01 0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.50 1tnn s THR 23 Cb -0.09 -0.89 0.03 0.00 1.34 0.00 0.00 72.50 72.89 1tnn s THR 23 CO 0.02 0.00 0.86 -0.62 -0.54 0.00 0.00 174.62 174.34 1tnn s ASP 24 N 0.67 5.31 0.00 3.99 2.15 -1.26 -4.69 116.67 122.83 1tnn s ASP 24 Ca -0.03 0.35 0.00 0.00 0.43 0.00 0.00 52.55 53.30 1tnn s ASP 24 Cb -0.05 -1.25 0.00 0.00 -0.30 0.00 0.00 42.92 41.32 1tnn s ASP 24 CO -0.04 -1.18 0.00 0.61 -0.17 0.00 0.00 175.17 174.38 1tnn n GLY 25 N -2.53 1.47 3.00 2.66 0.00 -1.26 -4.18 105.19 104.34 1tnn n GLY 25 Ca 0.06 -0.94 0.04 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.98 0.21 -0.19 1.61 -6.30 -1.26 -4.07 118.70 106.72 1tnn s GLU 26 Ca 0.00 0.05 -0.20 0.00 -2.50 0.00 0.00 54.97 52.32 1tnn s GLU 26 Cb 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 34.13 34.15 1tnn s GLU 26 CO 0.00 -0.34 0.58 -1.25 0.02 0.00 0.00 175.26 174.27 1tnn s PRO 27 N 2.48 4.22 0.21 4.30 0.04 -1.26 -4.77 135.00 140.23 1tnn s PRO 27 Ca 0.21 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1tnn s PRO 27 Cb -0.00 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1tnn s PRO 27 CO -0.19 -0.16 0.00 0.28 0.04 0.00 0.00 177.00 176.97 1tnn n VAL 28 N 4.52-11.41 -0.43 -0.36 0.31 -1.26 -4.91 118.33 104.80 1tnn n VAL 28 Ca -0.03 3.04 0.00 0.00 -0.01 0.00 0.00 64.34 67.34 1tnn n VAL 28 Cb 0.50 -4.79 0.00 0.00 -0.91 0.00 0.00 33.84 28.64 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 1.75 0.11 -4.20 5.55 -0.04 -1.26 -4.51 135.00 132.41 1tnn n PRO 29 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1tnn n PRO 29 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 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 -0.59 0.91 0.09 0.52 2.01 -0.87 -4.85 115.64 112.87 1tnn s THR 30 Ca 0.00 -1.89 0.04 0.00 0.31 0.00 0.00 61.69 60.15 1tnn s THR 30 Cb 0.00 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 1tnn s THR 30 CO 0.00 -0.75 -0.11 0.54 -0.69 0.00 0.00 174.62 173.61 1tnn s VAL 31 N -3.20 1.00 -0.42 3.82 0.11 -1.26 -0.62 120.40 119.84 1tnn s VAL 31 Ca 0.12 -1.55 0.06 0.00 -2.93 0.00 0.00 61.98 57.68 1tnn s VAL 31 Cb 0.02 -1.28 0.22 0.00 -1.53 0.00 0.00 36.38 33.81 1tnn s VAL 31 CO -0.02 -0.47 0.52 0.41 -3.33 0.00 0.00 175.10 172.21 1tnn n THR 32 N 0.74 -0.74 -1.68 5.04 -1.04 0.18 -4.93 114.28 111.85 1tnn n THR 32 Ca -0.17 -3.36 -0.45 0.00 -2.04 0.00 0.00 64.05 58.03 1tnn n THR 32 Cb 0.57 -1.30 -0.04 0.00 -1.82 0.00 0.00 70.33 67.74 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 1.98 2.47 -3.61 -1.42 7.02 -1.26 -2.82 117.44 119.79 1tnn n TRP 33 Ca 0.22 -0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.70 1tnn n TRP 33 Cb 0.53 -2.67 -0.01 0.00 -2.42 0.00 0.00 31.31 26.74 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 2.52 -0.04 0.00 -0.99 2.34 -0.64 -4.09 118.68 117.78 1tnn s LEU 34 Ca 0.83 -0.03 0.00 0.00 0.06 0.00 0.00 54.13 55.00 1tnn s LEU 34 Cb -0.58 1.16 0.00 0.00 -0.56 0.00 0.00 46.19 46.21 1tnn s LEU 34 CO 0.41 -0.11 0.00 -1.14 -1.06 0.00 0.00 176.35 174.44 1tnn n ARG 35 N -0.24 0.00 -1.83 1.48 0.00 -1.26 -1.95 116.66 112.86 1tnn n ARG 35 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.69 1tnn n ARG 35 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.02 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 0.00 -1.65 -0.74 -0.14 0.00 -1.26 -4.74 118.16 109.62 1tnn n LYS 36 Ca 0.00 0.74 0.06 0.00 0.00 0.00 0.00 58.31 59.11 1tnn n LYS 36 Cb 0.00 -5.15 0.13 0.00 0.00 0.00 0.00 35.03 30.02 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 -0.50 3.67 3.30 3.14 0.00 -1.26 -4.99 105.19 108.55 1tnn n GLY 37 Ca -0.15 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 1tnn n GLY 37 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tnn n GLN 38 N -0.66 -1.60 -4.43 1.61 6.02 -1.26 -2.05 117.38 115.01 1tnn n GLN 38 Ca 0.14 1.06 -0.38 0.00 -0.01 0.00 0.00 57.00 57.80 1tnn n GLN 38 Cb 0.80 -5.16 -0.08 0.00 1.02 0.00 0.00 30.24 26.83 1tnn n GLN 38 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1tnn n VAL 39 N -2.70 -0.51 -3.58 5.09 0.24 -1.26 0.06 118.33 115.67 1tnn n VAL 39 Ca -0.07 -0.16 -0.21 0.00 -2.04 0.00 0.00 64.34 61.86 1tnn n VAL 39 Cb 0.57 -0.84 0.05 0.00 -1.47 0.00 0.00 33.84 32.15 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 -4.26 -3.64 0.00 1.34 4.32 -0.87 -4.26 117.00 109.63 1tnn n LEU 40 Ca -0.03 -0.80 0.00 0.00 -0.02 0.00 0.00 56.01 55.16 1tnn n LEU 40 Cb 0.53 -2.78 0.00 0.00 -1.62 0.00 0.00 43.42 39.55 1tnn n LEU 40 CO 0.92 0.36 0.00 -0.24 -1.22 0.00 0.00 177.39 177.21 1tnn n SER 41 N -3.04 0.00 -0.11 -1.43 2.88 0.11 -4.47 113.62 107.57 1tnn n SER 41 Ca -0.23 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.30 1tnn n SER 41 Cb 0.65 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1tnn n SER 41 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1tnn n THR 42 N 0.00 -0.01 0.00 2.46 -1.04 -1.03 -4.66 114.28 110.00 1tnn n THR 42 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1tnn n THR 42 Cb 0.00 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 1tnn n THR 42 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1tnn n SER 43 N 1.78 0.00 0.01 8.00 2.88 -1.00 -4.69 113.62 120.61 1tnn n SER 43 Ca -0.01 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.48 1tnn n SER 43 Cb 0.13 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.48 1tnn n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tnn h ALA 44 N 0.00 0.69 0.00 -1.46 0.00 -1.94 -3.45 119.26 113.09 1tnn h ALA 44 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1tnn h ALA 44 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1tnn h ALA 44 CO 0.00 1.27 0.00 0.54 0.00 0.00 0.00 179.25 181.06 1tnn n ARG 45 N -3.03 0.24 -4.25 0.00 1.74 -1.26 -5.03 116.66 105.07 1tnn n ARG 45 Ca -0.12 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.63 1tnn n ARG 45 Cb 0.95 -0.05 -0.08 0.00 -1.02 0.00 0.00 32.46 32.26 1tnn n ARG 45 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1tnn s HIS 46 N -0.57 3.17 -0.34 -1.55 3.76 -1.26 -4.02 115.29 114.48 1tnn s HIS 46 Ca 0.00 0.16 -0.10 0.00 -0.15 0.00 0.00 55.06 54.96 1tnn s HIS 46 Cb 0.00 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 31.97 1tnn s HIS 46 CO 0.00 0.49 0.18 -0.65 -0.85 0.00 0.00 174.74 173.91 1tnn s GLN 47 N -1.40 3.16 0.11 1.40 1.11 -0.39 -2.36 119.66 121.29 1tnn s GLN 47 Ca 0.18 -0.85 0.08 0.00 0.01 0.00 0.00 55.36 54.79 1tnn s GLN 47 Cb -0.12 -3.64 -0.04 0.00 -1.01 0.00 0.00 33.01 28.20 1tnn s GLN 47 CO 0.09 -0.52 -0.14 0.08 0.01 0.00 0.00 175.29 174.80 1tnn s VAL 48 N 1.60 3.10 0.37 1.09 1.01 -1.26 -0.89 120.40 125.42 1tnn s VAL 48 Ca 0.04 -1.38 -0.10 0.00 0.00 0.00 0.00 61.98 60.54 1tnn s VAL 48 Cb -0.18 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 33.80 1tnn s VAL 48 CO 0.07 0.11 0.66 0.42 0.00 0.00 0.00 175.10 176.35 1tnn s THR 49 N -1.17 0.00 0.07 3.92 -4.23 0.49 -5.00 115.64 109.72 1tnn s THR 49 Ca 0.20 -1.26 -0.17 0.00 -1.18 0.00 0.00 61.69 59.28 1tnn s THR 49 Cb -0.11 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 70.98 1tnn s THR 49 CO 0.12 0.00 0.40 -0.89 -0.54 0.00 0.00 174.62 173.71 1tnn s THR 50 N -2.60 0.06 0.31 3.99 2.01 -1.26 -1.97 115.64 116.18 1tnn s THR 50 Ca 0.22 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.73 1tnn s THR 50 Cb -0.03 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 1tnn s THR 50 CO 0.15 -0.29 0.11 0.41 -0.69 0.00 0.00 174.62 174.32 1tnn n THR 51 N 0.25 0.00 -0.17 -0.82 -1.04 0.86 -4.90 114.28 108.45 1tnn n THR 51 Ca -0.18 -1.80 -0.09 0.00 -2.04 0.00 0.00 64.05 59.94 1tnn n THR 51 Cb 0.61 0.66 -0.07 0.00 -1.82 0.00 0.00 70.33 69.71 1tnn n THR 51 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1tnn h LYS 52 N 0.00 -0.18 0.00 -2.82 1.79 -2.02 -3.26 116.57 110.08 1tnn h LYS 52 Ca -0.24 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1tnn h LYS 52 Cb 0.92 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1tnn h LYS 52 CO 0.38 -0.12 -0.09 0.66 -1.08 0.00 0.00 179.45 179.19 1tnn n TYR 53 N -4.62 0.00 -3.70 -1.35 4.02 -1.26 -4.78 117.16 105.47 1tnn n TYR 53 Ca -0.01 -0.56 -0.11 0.00 -0.01 0.00 0.00 57.90 57.21 1tnn n TYR 53 Cb 0.23 -0.09 -0.10 0.00 -0.02 0.00 0.00 39.34 39.35 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 -1.49 0.42 0.51 -0.72 1.02 -1.23 -2.36 119.74 115.89 1tnn s LYS 54 Ca 0.14 0.78 0.07 0.00 0.02 0.00 0.00 55.97 56.97 1tnn s LYS 54 Cb 0.12 0.03 0.03 0.00 -0.52 0.00 0.00 37.83 37.49 1tnn s LYS 54 CO 0.01 -0.14 0.48 0.45 -0.92 0.00 0.00 175.35 175.23 1tnn s SER 55 N 1.22 4.85 -0.15 2.83 0.15 -0.12 -0.10 113.70 122.38 1tnn s SER 55 Ca -0.08 -1.02 -0.14 0.00 0.70 0.00 0.00 55.95 55.41 1tnn s SER 55 Cb -0.07 0.10 0.04 0.00 -1.71 0.00 0.00 66.02 64.38 1tnn s SER 55 CO -0.11 -1.02 0.41 -0.89 1.20 0.00 0.00 173.24 172.83 1tnn s THR 56 N -2.66 -0.00 0.10 6.45 2.01 -0.83 -1.13 115.64 119.57 1tnn s THR 56 Ca 0.44 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.50 1tnn s THR 56 Cb -0.03 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 1tnn s THR 56 CO 0.27 0.00 -0.15 0.12 -0.69 0.00 0.00 174.62 174.17 1tnn s PHE 57 N 0.23 1.38 -0.08 4.92 5.36 -0.60 -0.38 117.98 128.80 1tnn s PHE 57 Ca -0.00 -0.50 -0.07 0.00 -0.96 0.00 0.00 56.93 55.40 1tnn s PHE 57 Cb -0.03 -0.75 0.02 0.00 -0.34 0.00 0.00 43.02 41.93 1tnn s PHE 57 CO 0.00 0.12 0.21 -2.00 -1.46 0.00 0.00 175.22 172.09 1tnn s GLU 58 N -2.21 0.24 -0.70 10.12 2.12 -0.07 0.43 118.70 128.64 1tnn s GLU 58 Ca 0.04 0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.69 1tnn s GLU 58 Cb -0.08 0.09 0.39 0.00 0.26 0.00 0.00 34.13 34.80 1tnn s GLU 58 CO 0.03 -0.04 1.78 -0.89 -0.54 0.00 0.00 175.26 175.60 1tnn n ILE 59 N 3.09 3.28 -1.28 -3.70 5.41 -1.20 -1.26 119.36 123.71 1tnn n ILE 59 Ca -0.14 -4.18 -0.34 0.00 1.00 0.00 0.00 62.75 59.09 1tnn n ILE 59 Cb 0.58 -1.23 0.11 0.00 -0.71 0.00 0.00 39.64 38.40 1tnn n ILE 59 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1tnn s SER 60 N -1.89 3.84 -0.71 4.38 1.04 -1.26 -1.74 113.70 117.36 1tnn s SER 60 Ca 0.53 2.45 -0.01 0.00 0.48 0.00 0.00 55.95 59.41 1tnn s SER 60 Cb 0.44 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.97 1tnn s SER 60 CO -0.27 -2.51 0.03 -1.54 0.98 0.00 0.00 173.24 169.94 1tnn n SER 61 N -2.92 -2.86 -4.47 7.02 3.41 -1.26 -4.33 113.62 108.20 1tnn n SER 61 Ca 0.14 0.26 -0.45 0.00 -0.26 0.00 0.00 58.87 58.56 1tnn n SER 61 Cb 0.50 -2.48 -0.02 0.00 -0.26 0.00 0.00 64.21 61.95 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 -3.11 1.88 -0.65 -3.33 3.14 -0.71 -4.81 118.33 110.74 1tnn n VAL 62 Ca -0.09 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.55 1tnn n VAL 62 Cb 0.57 -0.45 0.13 0.00 -1.06 0.00 0.00 33.84 33.03 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 0.84 -1.66 0.18 1.45 0.00 -1.26 -4.69 117.38 112.25 1tnn n GLN 63 Ca 0.13 -0.48 0.18 0.00 -0.00 0.00 0.00 57.00 56.83 1tnn n GLN 63 Cb 0.31 -1.46 0.74 0.00 0.00 0.00 0.00 30.24 29.82 1tnn n GLN 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1tnn h ALA 64 N -2.23 1.86 0.00 1.69 0.00 -1.99 -3.38 119.26 115.21 1tnn h ALA 64 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1tnn h ALA 64 Cb 1.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1tnn h ALA 64 CO 0.23 -0.59 0.00 -1.13 0.00 0.00 0.00 179.25 177.76 1tnn n SER 65 N -3.35 0.00 0.01 0.00 3.41 -1.26 -4.76 113.62 107.67 1tnn n SER 65 Ca 0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.64 1tnn n SER 65 Cb 0.58 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1tnn n SER 65 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1tnn h ASP 66 N 0.00 -0.07 0.00 4.04 3.32 -1.91 -3.49 116.42 118.32 1tnn h ASP 66 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1tnn h ASP 66 Cb 0.00 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1tnn h ASP 66 CO 0.00 0.18 0.00 -1.84 -1.72 0.00 0.00 179.24 175.86 1tnn n GLU 67 N -3.48 0.00 0.00 3.56 0.28 -1.26 -4.91 120.64 114.83 1tnn n GLU 67 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1tnn n GLU 67 Cb 0.03 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.90 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 2.56 3.54 -1.84 0.00 -0.18 -1.97 105.19 107.30 1tnn n GLY 68 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.21 0.99 -4.19 1.61 3.02 -1.26 -2.39 115.26 113.26 1tnn n ASN 69 Ca 0.00 -0.92 -0.21 0.00 -0.03 0.00 0.00 54.58 53.42 1tnn n ASN 69 Cb 0.00 -1.31 -0.13 0.00 -0.61 0.00 0.00 39.78 37.73 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 10.33 1.41 0.12 3.10 2.02 -0.06 -4.75 117.35 129.51 1tnn s TYR 70 Ca 1.07 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 57.45 1tnn s TYR 70 Cb -0.42 -0.82 -0.04 0.00 -0.40 0.00 0.00 41.96 40.29 1tnn s TYR 70 CO 0.27 0.07 -0.16 -1.54 -1.57 0.00 0.00 175.55 172.62 1tnn s SER 71 N -1.38 2.18 -0.38 2.29 1.04 -0.82 -1.26 113.70 115.37 1tnn s SER 71 Ca 0.03 -0.76 -0.08 0.00 0.48 0.00 0.00 55.95 55.61 1tnn s SER 71 Cb -0.09 -0.10 0.05 0.00 0.10 0.00 0.00 66.02 65.99 1tnn s SER 71 CO 0.02 -0.07 0.19 0.54 0.98 0.00 0.00 173.24 174.90 1tnn s VAL 72 N -1.77 4.11 -0.46 5.02 0.11 -0.19 -1.62 120.40 125.60 1tnn s VAL 72 Ca 0.08 -1.20 -0.24 0.00 -2.93 0.00 0.00 61.98 57.69 1tnn s VAL 72 Cb -0.07 -3.40 0.03 0.00 -1.53 0.00 0.00 36.38 31.41 1tnn s VAL 72 CO 0.04 -0.33 0.85 -0.69 -3.33 0.00 0.00 175.10 171.64 1tnn s VAL 73 N 1.44 4.56 -0.17 2.04 1.01 -1.13 -0.81 120.40 127.35 1tnn s VAL 73 Ca 0.01 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 1tnn s VAL 73 Cb -0.21 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 1tnn s VAL 73 CO 0.03 -0.78 -0.12 -0.69 0.00 0.00 0.00 175.10 173.54 1tnn s VAL 74 N 3.51 2.94 0.60 2.92 1.01 0.57 0.52 120.40 132.48 1tnn s VAL 74 Ca 0.33 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1tnn s VAL 74 Cb -0.11 -2.27 0.12 0.00 0.00 0.00 0.00 36.38 34.12 1tnn s VAL 74 CO 0.24 0.49 0.83 -0.62 0.00 0.00 0.00 175.10 176.04 1tnn n GLU 75 N 4.17 -0.07 -3.15 2.72 4.71 0.21 -0.04 120.64 129.18 1tnn n GLU 75 Ca -0.19 -2.12 -0.20 0.00 -0.01 0.00 0.00 57.16 54.64 1tnn n GLU 75 Cb 0.52 -0.59 -0.03 0.00 -1.01 0.00 0.00 31.44 30.32 1tnn n GLU 75 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1tnn n ASN 76 N -3.00 1.47 -1.97 1.62 2.85 -0.78 -2.05 115.26 113.40 1tnn n ASN 76 Ca 0.13 -3.12 0.00 0.00 -0.11 0.00 0.00 54.58 51.49 1tnn n ASN 76 Cb 0.47 -0.61 0.00 0.00 1.24 0.00 0.00 39.78 40.88 1tnn n ASN 76 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1tnn n SER 77 N 0.27 -0.66 0.00 1.20 3.41 -1.26 -2.95 113.62 113.62 1tnn n SER 77 Ca 0.26 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1tnn n SER 77 Cb 0.60 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.96 0.00 -1.54 4.33 2.13 -1.26 -4.93 120.64 117.41 1tnn n GLU 78 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1tnn n GLU 78 Cb 0.33 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.04 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 4.29 3.02 8.31 0.00 -1.15 -5.16 105.19 114.50 1tnn n GLY 79 Ca 0.00 -2.17 -0.11 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.47 0.29 0.37 1.61 0.00 -1.26 -1.86 119.74 117.42 1tnn s LYS 80 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 55.97 55.67 1tnn s LYS 80 Cb 0.00 0.12 0.02 0.00 0.00 0.00 0.00 37.83 37.97 1tnn s LYS 80 CO 0.00 -0.06 0.59 -0.65 0.00 0.00 0.00 175.35 175.23 1tnn s GLN 81 N -0.83 2.09 0.04 1.78 -1.52 0.94 -4.89 119.66 117.26 1tnn s GLN 81 Ca -0.09 -1.73 -0.29 0.00 -1.95 0.00 0.00 55.36 51.30 1tnn s GLN 81 Cb -0.05 0.50 0.10 0.00 -0.22 0.00 0.00 33.01 33.34 1tnn s GLN 81 CO 0.00 -0.91 1.19 -1.83 -0.25 0.00 0.00 175.29 173.49 1tnn s GLU 82 N -2.64 0.65 0.24 2.91 -1.05 -1.26 -0.31 118.70 117.24 1tnn s GLU 82 Ca 0.26 -0.36 -0.06 0.00 -0.15 0.00 0.00 54.97 54.67 1tnn s GLU 82 Cb -0.02 0.22 -0.02 0.00 -0.44 0.00 0.00 34.13 33.87 1tnn s GLU 82 CO 0.19 -0.30 0.32 0.00 0.95 0.00 0.00 175.26 176.42 1tnn s ALA 83 N -2.69 0.56 0.00 -0.84 0.00 0.01 -4.89 121.76 113.91 1tnn s ALA 83 Ca 0.14 -1.35 -0.15 0.00 0.00 0.00 0.00 51.96 50.60 1tnn s ALA 83 Cb 0.03 1.23 0.02 0.00 0.00 0.00 0.00 23.12 24.41 1tnn s ALA 83 CO -0.02 -0.73 0.31 -1.83 0.00 0.00 0.00 175.76 173.50 1tnn s GLU 84 N -3.95 0.71 0.25 0.00 -1.05 -1.26 -1.02 118.70 112.38 1tnn s GLU 84 Ca 0.31 -0.27 -0.12 0.00 -0.15 0.00 0.00 54.97 54.75 1tnn s GLU 84 Cb 0.03 0.31 0.05 0.00 -0.44 0.00 0.00 34.13 34.08 1tnn s GLU 84 CO 0.12 -0.21 0.61 1.97 0.95 0.00 0.00 175.26 178.71 1tnn n PHE 85 N 1.08 -1.78 -3.74 4.83 -1.74 -0.39 -4.83 117.46 110.90 1tnn n PHE 85 Ca -0.21 -1.23 -0.13 0.00 -0.56 0.00 0.00 57.45 55.32 1tnn n PHE 85 Cb 0.57 0.61 -0.08 0.00 1.52 0.00 0.00 39.48 42.10 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 -2.32 0.06 -0.41 1.97 -4.23 -1.26 -0.89 115.64 108.57 1tnn s THR 86 Ca 0.13 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 60.16 1tnn s THR 86 Cb -0.03 -0.74 0.14 0.00 1.34 0.00 0.00 72.50 73.20 1tnn s THR 86 CO 0.07 -0.27 0.24 -0.76 -0.54 0.00 0.00 174.62 173.36 1tnn s LEU 87 N -1.55 2.01 1.10 4.79 2.01 -1.00 -1.54 118.68 124.48 1tnn s LEU 87 Ca -0.11 -2.52 -0.18 0.00 0.01 0.00 0.00 54.13 51.33 1tnn s LEU 87 Cb -0.03 -0.77 0.25 0.00 0.01 0.00 0.00 46.19 45.65 1tnn s LEU 87 CO 0.02 -0.27 1.19 -0.89 1.01 0.00 0.00 176.35 177.41 1tnn s THR 88 N 0.56 1.77 0.28 5.49 2.01 -0.83 -1.01 115.64 123.90 1tnn s THR 88 Ca 0.19 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.24 1tnn s THR 88 Cb -0.21 -2.70 -0.06 0.00 0.01 0.00 0.00 72.50 69.54 1tnn s THR 88 CO -0.01 0.00 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.28 1tnn s ILE 89 N -3.36 1.34 -0.38 1.82 1.09 -1.26 -1.76 121.20 118.69 1tnn s ILE 89 Ca 0.72 -2.06 0.04 0.00 -1.10 0.00 0.00 60.65 58.25 1tnn s ILE 89 Cb -0.08 -2.51 0.16 0.00 -1.06 0.00 0.00 42.46 38.98 1tnn s ILE 89 CO 0.55 -0.23 0.42 -1.10 -0.10 0.00 0.00 174.94 174.48 1tnn s GLN 90 N -3.81 0.69 0.00 2.79 -1.52 -0.96 -4.83 119.66 112.01 1tnn s GLN 90 Ca 0.31 -0.82 0.00 0.00 -1.95 0.00 0.00 55.36 52.90 1tnn s GLN 90 Cb 0.06 -0.61 0.00 0.00 -0.22 0.00 0.00 33.01 32.24 1tnn s GLN 90 CO 0.12 -1.20 0.37 0.36 -0.25 0.00 0.00 175.29 174.69