#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 0.00-10.19 -0.00 0.55 2.08 -1.24 -4.81 119.36 105.74 1tnn n ILE 2 Ca 0.00 -0.07 0.23 0.00 0.56 0.00 0.00 62.75 63.47 1tnn n ILE 2 Cb 0.00 -6.94 0.72 0.00 -0.75 0.00 0.00 39.64 32.67 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 0.68 0.00 -7.00 1.39 4.07 -0.51 -3.41 115.31 110.53 1tnn h LEU 3 Ca 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 1tnn h LEU 3 Cb 1.00 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.53 1tnn h LEU 3 CO 0.28 0.00 0.14 -0.89 -1.08 0.00 0.00 178.44 176.89 1tnn s THR 4 N -4.76 0.00 -0.04 0.22 2.01 -1.20 -4.90 115.64 106.98 1tnn s THR 4 Ca -0.04 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.02 1tnn s THR 4 Cb 0.18 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 1tnn s THR 4 CO 0.63 0.00 -0.25 -1.59 -0.69 0.00 0.00 174.62 172.72 1tnn s LYS 5 N 0.27 2.31 0.00 4.92 0.00 -1.26 -2.15 119.74 123.83 1tnn s LYS 5 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 55.97 55.06 1tnn s LYS 5 Cb -0.05 -2.08 0.00 0.00 0.00 0.00 0.00 37.83 35.70 1tnn s LYS 5 CO 0.01 0.46 0.00 -0.35 0.00 0.00 0.00 175.35 175.48 1tnn n PRO 6 N 2.70 -0.12 -0.53 1.78 -0.04 -1.26 -5.02 135.00 132.51 1tnn n PRO 6 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1tnn n PRO 6 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.86 0.00 -2.66 0.54 0.63 -1.26 -4.97 116.66 108.07 1tnn n ARG 7 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 1tnn n ARG 7 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 1tnn n ARG 7 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1tnn n SER 8 N -0.78 2.01 0.00 6.15 2.88 -1.26 -4.43 113.62 118.19 1tnn n SER 8 Ca 0.00 -1.80 0.00 0.00 -1.33 0.00 0.00 58.87 55.74 1tnn n SER 8 Cb 0.00 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1tnn n SER 8 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1tnn n MET 9 N -0.82 -2.15 -3.76 -1.46 0.00 -0.82 -4.92 117.12 103.19 1tnn n MET 9 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.42 1tnn n MET 9 Cb 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.30 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 -2.78 0.38 -0.15 3.17 2.01 -1.26 -2.30 115.64 114.72 1tnn s THR 10 Ca 0.00 -0.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 1tnn s THR 10 Cb 0.00 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 1tnn s THR 10 CO 0.00 0.14 -0.10 0.68 -0.69 0.00 0.00 174.62 174.65 1tnn s VAL 11 N 1.96 3.27 0.07 3.82 -7.23 0.40 -4.88 120.40 117.81 1tnn s VAL 11 Ca 0.04 -0.58 -0.22 0.00 -1.81 0.00 0.00 61.98 59.41 1tnn s VAL 11 Cb -0.13 -2.40 -0.09 0.00 0.56 0.00 0.00 36.38 34.31 1tnn s VAL 11 CO -0.06 0.51 1.35 0.22 -0.31 0.00 0.00 175.10 176.81 1tnn h TYR 12 N 6.86 -0.98 0.00 2.82 5.03 -1.92 -3.28 116.97 125.50 1tnn h TYR 12 Ca -0.29 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.05 1tnn h TYR 12 Cb 1.20 0.42 0.00 0.00 1.55 0.00 0.00 36.73 39.90 1tnn h TYR 12 CO 0.52 -0.38 0.00 -1.91 -1.32 0.00 0.00 178.16 175.07 1tnn n GLU 13 N -4.36 0.00 -4.18 1.82 2.13 -1.26 -3.48 120.64 111.31 1tnn n GLU 13 Ca -0.05 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.44 1tnn n GLU 13 Cb 0.26 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.93 1tnn n GLU 13 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tnn n GLY 14 N 0.00 -0.31 0.28 8.31 0.00 -1.26 -4.79 105.19 107.42 1tnn n GLY 14 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1tnn n GLY 14 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1tnn n GLU 15 N -4.39 0.00 -2.30 1.61 -0.00 -1.26 -4.69 120.64 109.60 1tnn n GLU 15 Ca -0.12 -0.59 0.00 0.00 -0.00 0.00 0.00 57.16 56.45 1tnn n GLU 15 Cb 0.59 -0.38 0.00 0.00 -0.00 0.00 0.00 31.44 31.65 1tnn n GLU 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1tnn n SER 16 N 0.00 0.00 -0.83 -1.84 3.41 -1.26 -4.98 113.62 108.11 1tnn n SER 16 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 1tnn n SER 16 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1tnn n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tnn n ALA 17 N 0.00 -0.22 -1.78 7.33 0.00 -1.26 -4.41 120.51 120.17 1tnn n ALA 17 Ca 0.00 0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.13 1tnn n ALA 17 Cb 0.00 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.22 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 -4.50 4.45 0.04 0.00 3.52 -1.26 -3.15 118.95 118.04 1tnn s ARG 18 Ca 0.03 1.44 -0.05 0.00 -0.13 0.00 0.00 55.73 57.02 1tnn s ARG 18 Cb -0.01 -2.75 -0.01 0.00 -1.56 0.00 0.00 34.95 30.61 1tnn s ARG 18 CO 0.04 0.13 0.08 -0.06 -0.81 0.00 0.00 175.30 174.68 1tnn s PHE 19 N -1.58 0.23 -0.29 5.12 0.08 0.91 -4.96 117.98 117.49 1tnn s PHE 19 Ca 0.52 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 57.07 1tnn s PHE 19 Cb -0.21 -0.16 0.18 0.00 -0.57 0.00 0.00 43.02 42.26 1tnn s PHE 19 CO 0.27 -0.35 0.53 -1.54 -0.10 0.00 0.00 175.22 174.03 1tnn s SER 20 N -2.11 -0.91 0.67 1.36 1.04 -1.26 -0.92 113.70 111.57 1tnn s SER 20 Ca -0.05 0.10 0.04 0.00 0.48 0.00 0.00 55.95 56.52 1tnn s SER 20 Cb -0.01 1.73 0.12 0.00 0.10 0.00 0.00 66.02 67.95 1tnn s SER 20 CO -0.05 -0.31 0.93 0.00 0.98 0.00 0.00 173.24 174.79 1tnn s ASP 22 N -4.74 -0.34 -0.27 0.00 -1.08 -0.91 -1.81 116.67 107.51 1tnn s ASP 22 Ca 0.65 0.10 -0.22 0.00 -0.52 0.00 0.00 52.55 52.55 1tnn s ASP 22 Cb -0.05 0.44 0.08 0.00 -1.46 0.00 0.00 42.92 41.93 1tnn s ASP 22 CO 0.43 -0.66 0.74 0.28 0.52 0.00 0.00 175.17 176.48 1tnn s THR 23 N -2.29 0.00 0.33 1.71 -1.32 -1.18 0.26 115.64 113.15 1tnn s THR 23 Ca -0.06 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.43 1tnn s THR 23 Cb -0.01 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.95 1tnn s THR 23 CO -0.01 0.00 0.52 1.51 -2.21 0.00 0.00 174.62 174.43 1tnn s ASP 24 N 0.72 6.30 0.00 8.08 1.47 -1.26 -4.68 116.67 127.29 1tnn s ASP 24 Ca -0.03 0.39 0.00 0.00 1.18 0.00 0.00 52.55 54.09 1tnn s ASP 24 Cb -0.05 -2.00 0.00 0.00 -0.34 0.00 0.00 42.92 40.53 1tnn s ASP 24 CO -0.05 -0.26 0.00 0.61 0.68 0.00 0.00 175.17 176.15 1tnn n GLY 25 N -1.73 0.17 2.68 2.12 0.00 -1.26 -3.91 105.19 103.26 1tnn n GLY 25 Ca -0.05 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 1tnn n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tnn s GLU 26 N -2.00 0.11 -0.21 1.61 2.02 -1.26 -2.93 118.70 116.04 1tnn s GLU 26 Ca 0.00 0.08 -0.14 0.00 0.02 0.00 0.00 54.97 54.93 1tnn s GLU 26 Cb 0.00 -1.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 1tnn s GLU 26 CO 0.00 -0.64 0.32 -1.25 0.02 0.00 0.00 175.26 173.71 1tnn s PRO 27 N 2.22 4.15 -0.02 0.39 0.04 -1.26 -4.71 135.00 135.82 1tnn s PRO 27 Ca 0.04 0.05 -0.02 0.00 0.04 0.00 0.00 61.00 61.11 1tnn s PRO 27 Cb -0.16 -3.53 0.01 0.00 0.04 0.00 0.00 34.50 30.86 1tnn s PRO 27 CO -0.10 0.02 0.03 0.28 0.04 0.00 0.00 177.00 177.27 1tnn n VAL 28 N 4.25 -7.42 -0.03 -0.36 0.31 -1.15 -4.98 118.33 108.95 1tnn n VAL 28 Ca -0.11 1.70 0.00 0.00 -0.01 0.00 0.00 64.34 65.92 1tnn n VAL 28 Cb 0.51 -4.18 0.00 0.00 -0.91 0.00 0.00 33.84 29.26 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 1.97 0.76 -4.30 5.55 -0.04 -1.26 -4.91 135.00 132.76 1tnn n PRO 29 Ca -0.05 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.24 1tnn n PRO 29 Cb 0.08 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.44 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 -0.10 1.50 0.16 0.52 2.01 -0.88 -4.99 115.64 113.86 1tnn s THR 30 Ca 0.00 -2.13 0.05 0.00 0.31 0.00 0.00 61.69 59.92 1tnn s THR 30 Cb 0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1tnn s THR 30 CO 0.00 -0.65 -0.11 0.54 -0.69 0.00 0.00 174.62 173.71 1tnn s VAL 31 N -3.07 1.32 -0.40 3.82 0.11 -1.26 -1.11 120.40 119.81 1tnn s VAL 31 Ca 0.20 -2.07 0.09 0.00 -2.93 0.00 0.00 61.98 57.27 1tnn s VAL 31 Cb 0.00 -1.87 0.30 0.00 -1.53 0.00 0.00 36.38 33.28 1tnn s VAL 31 CO 0.04 -0.69 0.70 0.41 -3.33 0.00 0.00 175.10 172.23 1tnn n THR 32 N -0.19 -0.35 -1.67 5.04 -1.04 0.31 -4.90 114.28 111.48 1tnn n THR 32 Ca -0.10 -3.82 -0.46 0.00 -2.04 0.00 0.00 64.05 57.63 1tnn n THR 32 Cb 0.60 -0.63 -0.04 0.00 -1.82 0.00 0.00 70.33 68.45 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 0.85 2.25 -3.63 -1.42 7.02 -1.26 -2.86 117.44 118.38 1tnn n TRP 33 Ca 0.20 0.33 -0.03 0.00 -1.02 0.00 0.00 57.50 56.98 1tnn n TRP 33 Cb 0.61 -2.52 -0.02 0.00 -2.42 0.00 0.00 31.31 26.96 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 0.61 -0.04 -0.31 -0.99 2.34 -0.73 -3.99 118.68 115.57 1tnn s LEU 34 Ca 0.75 -0.00 0.04 0.00 0.06 0.00 0.00 54.13 54.98 1tnn s LEU 34 Cb -0.67 1.12 0.33 0.00 -0.56 0.00 0.00 46.19 46.41 1tnn s LEU 34 CO 0.42 -0.07 1.43 -1.14 -1.06 0.00 0.00 176.35 175.93 1tnn n ARG 35 N -0.04 0.08 -2.12 1.48 0.00 -1.26 -2.00 116.66 112.80 1tnn n ARG 35 Ca 0.04 -0.61 -0.17 0.00 -0.00 0.00 0.00 57.85 57.11 1tnn n ARG 35 Cb 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 32.46 32.92 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 0.48 -1.75 -1.16 -0.14 4.81 -1.26 -4.80 118.16 114.34 1tnn n LYS 36 Ca -0.07 0.88 0.05 0.00 -0.87 0.00 0.00 58.31 58.29 1tnn n LYS 36 Cb 0.76 -5.41 0.09 0.00 0.02 0.00 0.00 35.03 30.49 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 -0.72 2.45 2.52 3.14 0.00 -1.26 -5.00 105.19 106.33 1tnn n GLY 37 Ca -0.19 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.08 -1.70 -2.33 1.61 0.00 -1.26 -3.30 117.38 110.32 1tnn n GLN 38 Ca 0.10 0.51 -0.04 0.00 -0.00 0.00 0.00 57.00 57.58 1tnn n GLN 38 Cb 0.98 -4.13 -0.01 0.00 0.00 0.00 0.00 30.24 27.08 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 -2.57 0.00 0.00 1.69 0.24 -1.26 -4.28 118.33 112.15 1tnn n VAL 39 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1tnn n VAL 39 Cb 0.58 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 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 -2.17 0.00 -3.79 1.34 7.99 -1.21 -4.41 117.00 114.76 1tnn n LEU 40 Ca 0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.77 1tnn n LEU 40 Cb 0.40 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.68 1tnn n LEU 40 CO 0.10 0.00 -0.20 -1.54 -1.51 0.00 0.00 177.39 174.23 1tnn n SER 41 N 1.46 -0.94 -4.00 -1.43 3.41 -1.26 -0.51 113.62 110.34 1tnn n SER 41 Ca 0.00 -0.80 -0.30 0.00 -0.26 0.00 0.00 58.87 57.51 1tnn n SER 41 Cb 0.00 -0.98 -0.02 0.00 -0.26 0.00 0.00 64.21 62.95 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 -3.37 -3.05 0.00 6.66 -2.24 -1.26 -4.85 114.28 106.18 1tnn n THR 42 Ca -0.14 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1tnn n THR 42 Cb 0.39 -2.54 0.00 0.00 -2.10 0.00 0.00 70.33 66.08 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 -2.81 0.00 0.00 3.42 7.64 0.33 -4.85 113.62 117.34 1tnn n SER 43 Ca -0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1tnn n SER 43 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 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 -2.86 0.00 -1.50 -0.43 0.00 -1.26 -4.69 120.51 109.76 1tnn n ALA 44 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1tnn n ALA 44 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 1tnn n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1tnn n ARG 45 N -0.24 1.11 -2.82 0.00 1.74 -1.26 -5.05 116.66 110.15 1tnn n ARG 45 Ca 0.00 -2.59 -0.26 0.00 -0.77 0.00 0.00 57.85 54.23 1tnn n ARG 45 Cb 0.00 -1.28 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.39 3.42 -0.41 -1.55 0.09 -1.26 -3.79 115.29 109.41 1tnn s HIS 46 Ca 0.30 0.57 0.11 0.00 -0.00 0.00 0.00 55.06 56.04 1tnn s HIS 46 Cb 0.29 -2.30 0.41 0.00 -0.00 0.00 0.00 32.58 30.98 1tnn s HIS 46 CO -0.03 -0.31 0.95 0.94 -0.00 0.00 0.00 174.74 176.29 1tnn n GLN 47 N -2.19 2.11 -0.82 1.40 7.27 0.46 -4.16 117.38 121.47 1tnn n GLN 47 Ca 0.00 -3.90 -0.29 0.00 0.07 0.00 0.00 57.00 52.88 1tnn n GLN 47 Cb 0.56 -1.79 0.22 0.00 2.41 0.00 0.00 30.24 31.64 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 -3.91 2.06 0.00 1.69 1.01 -1.26 -2.60 120.40 117.39 1tnn s VAL 48 Ca 0.39 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1tnn s VAL 48 Cb 0.39 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1tnn s VAL 48 CO -0.08 -0.03 0.00 1.07 0.00 0.00 0.00 175.10 176.06 1tnn n THR 49 N -4.59 0.00 -3.48 3.92 5.66 0.16 -4.58 114.28 111.37 1tnn n THR 49 Ca 0.04 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.80 1tnn n THR 49 Cb 0.55 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.32 1tnn n THR 49 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1tnn s THR 50 N 0.00 5.13 -0.00 1.09 2.01 -1.26 -1.30 115.64 121.31 1tnn s THR 50 Ca 0.00 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 1tnn s THR 50 Cb 0.00 -3.83 0.11 0.00 0.01 0.00 0.00 72.50 68.78 1tnn s THR 50 CO 0.00 -0.46 1.13 0.28 -0.69 0.00 0.00 174.62 174.87 1tnn s THR 51 N -2.20 0.00 0.00 -0.82 -1.32 -0.65 -4.93 115.64 105.71 1tnn s THR 51 Ca 0.39 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 1tnn s THR 51 Cb -0.10 -1.66 0.00 0.00 -1.51 0.00 0.00 72.50 69.23 1tnn s THR 51 CO 0.34 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 175.04 1tnn n LYS 52 N -0.37 0.00 -0.81 7.08 2.85 -1.26 -1.49 118.16 124.16 1tnn n LYS 52 Ca -0.06 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.19 1tnn n LYS 52 Cb 0.61 0.00 0.28 0.00 -0.65 0.00 0.00 35.03 35.27 1tnn n LYS 52 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1tnn n TYR 53 N 12.72 1.75 -4.13 5.58 4.02 -1.26 -4.98 117.16 130.86 1tnn n TYR 53 Ca 0.00 -1.15 -0.13 0.00 -0.01 0.00 0.00 57.90 56.60 1tnn n TYR 53 Cb 0.00 -0.54 -0.06 0.00 -0.02 0.00 0.00 39.34 38.72 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 -2.98 1.62 0.11 -0.72 1.02 -0.55 -3.09 119.74 115.15 1tnn s LYS 54 Ca 0.50 -1.65 0.03 0.00 0.02 0.00 0.00 55.97 54.86 1tnn s LYS 54 Cb 0.40 0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 38.06 1tnn s LYS 54 CO 0.10 -0.63 -0.08 0.45 -0.92 0.00 0.00 175.35 174.26 1tnn s SER 55 N -3.19 1.34 -0.03 2.83 0.15 -0.75 -1.64 113.70 112.40 1tnn s SER 55 Ca 0.33 -0.95 -0.01 0.00 0.70 0.00 0.00 55.95 56.01 1tnn s SER 55 Cb 0.02 0.05 0.03 0.00 -1.71 0.00 0.00 66.02 64.41 1tnn s SER 55 CO 0.17 -0.39 0.04 0.42 1.20 0.00 0.00 173.24 174.68 1tnn s THR 56 N -3.25 -0.05 -0.24 6.45 -4.23 -0.42 -0.55 115.64 113.36 1tnn s THR 56 Ca 0.11 0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 60.87 1tnn s THR 56 Cb 0.03 -0.13 0.01 0.00 1.34 0.00 0.00 72.50 73.74 1tnn s THR 56 CO -0.02 0.13 -0.04 0.12 -0.54 0.00 0.00 174.62 174.27 1tnn s PHE 57 N 1.51 3.00 -0.26 3.99 5.36 -0.10 0.38 117.98 131.86 1tnn s PHE 57 Ca -0.03 -1.16 0.02 0.00 -0.96 0.00 0.00 56.93 54.79 1tnn s PHE 57 Cb -0.13 -2.10 0.05 0.00 -0.34 0.00 0.00 43.02 40.51 1tnn s PHE 57 CO -0.03 -0.62 -0.09 -2.00 -1.46 0.00 0.00 175.22 171.02 1tnn s GLU 58 N 1.43 2.33 -1.29 10.12 -6.30 -1.07 -0.06 118.70 123.86 1tnn s GLU 58 Ca 0.04 -1.30 -0.18 0.00 -2.50 0.00 0.00 54.97 51.03 1tnn s GLU 58 Cb -0.15 -2.94 0.07 0.00 0.00 0.00 0.00 34.13 31.11 1tnn s GLU 58 CO -0.04 -0.56 1.72 0.42 0.02 0.00 0.00 175.26 176.83 1tnn s ILE 59 N 1.15 4.16 0.19 -3.70 1.01 -1.19 -0.40 121.20 122.42 1tnn s ILE 59 Ca -0.07 -1.94 0.04 0.00 0.00 0.00 0.00 60.65 58.68 1tnn s ILE 59 Cb -0.20 -5.18 -0.03 0.00 0.01 0.00 0.00 42.46 37.06 1tnn s ILE 59 CO -0.04 -2.01 0.25 -0.94 0.00 0.00 0.00 174.94 172.19 1tnn s SER 60 N 4.17 5.98 -0.90 3.58 1.04 -1.26 -4.28 113.70 122.03 1tnn s SER 60 Ca 0.53 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.96 1tnn s SER 60 Cb 0.04 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.47 1tnn s SER 60 CO 0.07 0.01 0.00 -1.54 0.98 0.00 0.00 173.24 172.77 1tnn n SER 61 N -0.79 -3.40 -4.75 7.02 3.41 -1.26 -4.52 113.62 109.33 1tnn n SER 61 Ca -0.08 0.24 -0.38 0.00 -0.26 0.00 0.00 58.87 58.39 1tnn n SER 61 Cb 0.55 -2.93 0.03 0.00 -0.26 0.00 0.00 64.21 61.61 1tnn n SER 61 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1tnn s VAL 62 N -2.48 2.16 0.00 -3.33 0.11 -1.25 -4.78 120.40 110.83 1tnn s VAL 62 Ca 0.00 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1tnn s VAL 62 Cb 0.00 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 1tnn s VAL 62 CO 0.00 0.00 0.00 1.67 -3.33 0.00 0.00 175.10 173.44 1tnn n GLN 63 N -0.90 -1.01 0.21 1.54 7.27 -1.26 -4.69 117.38 118.54 1tnn n GLN 63 Ca 0.10 0.00 0.18 0.00 0.07 0.00 0.00 57.00 57.35 1tnn n GLN 63 Cb 0.45 0.00 0.79 0.00 2.41 0.00 0.00 30.24 33.89 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 -1.79 1.75 0.00 1.69 0.00 -1.98 -3.40 119.26 115.53 1tnn h ALA 64 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1tnn h ALA 64 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1tnn h ALA 64 CO 0.00 -0.47 0.00 0.45 0.00 0.00 0.00 179.25 179.23 1tnn n SER 65 N -3.38 0.00 -1.39 0.00 2.88 -1.26 -4.39 113.62 106.08 1tnn n SER 65 Ca 0.03 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.66 1tnn n SER 65 Cb 0.48 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.26 1tnn n SER 65 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1tnn n ASP 66 N 0.00 4.07 0.00 -3.46 9.92 -1.26 -4.95 116.55 120.87 1tnn n ASP 66 Ca 0.00 -2.22 0.00 0.00 -0.53 0.00 0.00 54.79 52.04 1tnn n ASP 66 Cb 0.00 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.97 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 1.26 0.00 0.00 -1.24 0.28 -1.26 -4.56 120.64 115.12 1tnn n GLU 67 Ca 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 1tnn n GLU 67 Cb 0.71 -0.88 0.00 0.00 1.43 0.00 0.00 31.44 32.70 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 1.64 3.51 -1.84 0.00 -0.18 -2.58 105.19 105.74 1tnn n GLY 68 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 1.58 -1.12 -4.06 1.61 4.13 -1.26 -2.86 115.26 113.27 1tnn n ASN 69 Ca 0.00 -0.65 -0.23 0.00 1.68 0.00 0.00 54.58 55.37 1tnn n ASN 69 Cb 0.00 -0.65 -0.16 0.00 -1.54 0.00 0.00 39.78 37.43 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 1.61 1.34 0.49 3.10 2.02 0.14 -4.65 117.35 121.41 1tnn s TYR 70 Ca 1.28 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 57.61 1tnn s TYR 70 Cb -0.77 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.83 1tnn s TYR 70 CO 0.52 -0.16 0.01 -1.12 -1.57 0.00 0.00 175.55 173.23 1tnn s SER 71 N 0.22 4.06 -0.18 2.29 0.01 -0.85 -1.74 113.70 117.52 1tnn s SER 71 Ca -0.05 -1.60 -0.04 0.00 1.31 0.00 0.00 55.95 55.56 1tnn s SER 71 Cb -0.11 0.36 0.06 0.00 0.21 0.00 0.00 66.02 66.54 1tnn s SER 71 CO 0.02 -0.78 0.07 0.54 0.41 0.00 0.00 173.24 173.50 1tnn s VAL 72 N -2.85 0.11 -0.39 3.43 0.11 -0.83 -1.77 120.40 118.21 1tnn s VAL 72 Ca 0.11 -0.30 -0.19 0.00 -2.93 0.00 0.00 61.98 58.67 1tnn s VAL 72 Cb 0.03 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1tnn s VAL 72 CO 0.06 -0.27 0.54 -0.69 -3.33 0.00 0.00 175.10 171.41 1tnn s VAL 73 N 2.05 4.97 -0.10 2.04 1.01 -1.13 -0.54 120.40 128.69 1tnn s VAL 73 Ca 0.01 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1tnn s VAL 73 Cb -0.16 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1tnn s VAL 73 CO -0.09 -0.37 -0.21 -0.69 0.00 0.00 0.00 175.10 173.74 1tnn s VAL 74 N 2.48 2.38 0.14 2.92 1.01 -0.11 0.11 120.40 129.33 1tnn s VAL 74 Ca 0.19 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1tnn s VAL 74 Cb -0.15 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.30 1tnn s VAL 74 CO 0.15 0.55 0.09 -0.62 0.00 0.00 0.00 175.10 175.27 1tnn n GLU 75 N 3.42 1.34 -3.97 2.72 -0.58 -0.27 -0.81 120.64 122.49 1tnn n GLU 75 Ca -0.18 -0.91 -0.09 0.00 -0.42 0.00 0.00 57.16 55.55 1tnn n GLU 75 Cb 0.53 0.12 -0.06 0.00 -0.57 0.00 0.00 31.44 31.46 1tnn n GLU 75 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1tnn s ASN 76 N -1.82 -0.05 0.64 1.62 2.47 -0.62 -2.08 114.94 115.09 1tnn s ASN 76 Ca 0.07 -0.90 0.25 0.00 0.42 0.00 0.00 52.86 52.71 1tnn s ASN 76 Cb -0.01 0.52 1.33 0.00 -1.45 0.00 0.00 41.25 41.65 1tnn s ASN 76 CO 0.04 -1.03 1.76 0.77 -3.72 0.00 0.00 177.10 174.92 1tnn h SER 77 N 2.36 0.00 -0.20 -4.21 4.64 -1.91 -2.88 113.55 111.36 1tnn h SER 77 Ca -0.29 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.80 1tnn h SER 77 Cb 1.24 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.12 1tnn h SER 77 CO 0.41 0.00 -0.53 -1.84 -0.87 0.00 0.00 176.83 174.00 1tnn n GLU 78 N -3.08 1.27 -3.90 4.77 0.00 -1.26 -5.10 120.64 113.35 1tnn n GLU 78 Ca 0.02 -2.03 -0.03 0.00 0.00 0.00 0.00 57.16 55.12 1tnn n GLU 78 Cb 0.60 -0.24 0.02 0.00 0.00 0.00 0.00 31.44 31.82 1tnn n GLU 78 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1tnn s GLY 79 N -1.70 0.11 -0.18 -1.84 0.00 -1.09 -5.18 107.32 97.44 1tnn s GLY 79 Ca 0.20 -0.33 -0.25 0.00 0.00 0.00 0.00 44.72 44.34 1tnn s GLY 79 CO -0.07 2.77 0.66 -1.59 0.00 0.00 0.00 173.10 174.86 1tnn s LYS 80 N -2.13 0.87 0.08 2.90 0.00 -1.26 -1.59 119.74 118.61 1tnn s LYS 80 Ca 0.23 0.67 -0.07 0.00 0.00 0.00 0.00 55.97 56.80 1tnn s LYS 80 Cb -0.03 0.42 0.02 0.00 0.00 0.00 0.00 37.83 38.25 1tnn s LYS 80 CO 0.05 -0.17 0.33 0.00 0.00 0.00 0.00 175.35 175.55 1tnn n GLN 81 N 2.07 0.26 -2.54 1.78 0.00 0.01 -4.97 117.38 113.98 1tnn n GLN 81 Ca -0.16 -0.56 0.01 0.00 0.00 0.00 0.00 57.00 56.28 1tnn n GLN 81 Cb 0.56 0.74 0.01 0.00 0.00 0.00 0.00 30.24 31.55 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 -0.23 0.09 -3.84 2.61 -0.00 -1.26 -0.93 120.64 117.08 1tnn n GLU 82 Ca -0.01 -0.31 -0.12 0.00 -0.00 0.00 0.00 57.16 56.71 1tnn n GLU 82 Cb 0.20 0.49 -0.01 0.00 -0.00 0.00 0.00 31.44 32.12 1tnn n GLU 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1tnn n ALA 83 N -2.27 -0.89 -3.64 -1.84 0.00 0.29 -4.91 120.51 107.25 1tnn n ALA 83 Ca -0.04 -1.45 -0.07 0.00 0.00 0.00 0.00 53.44 51.88 1tnn n ALA 83 Cb 0.20 1.16 -0.07 0.00 0.00 0.00 0.00 19.45 20.75 1tnn n ALA 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1tnn s GLU 84 N -2.51 0.39 0.22 0.00 -1.05 -1.26 -1.96 118.70 112.53 1tnn s GLU 84 Ca 0.23 0.48 -0.08 0.00 -0.15 0.00 0.00 54.97 55.45 1tnn s GLU 84 Cb -0.02 0.18 0.03 0.00 -0.44 0.00 0.00 34.13 33.88 1tnn s GLU 84 CO 0.17 -0.05 0.44 1.97 0.95 0.00 0.00 175.26 178.74 1tnn n PHE 85 N 2.19 -1.75 -3.69 4.83 -1.74 -0.71 -4.88 117.46 111.72 1tnn n PHE 85 Ca -0.12 -1.02 -0.10 0.00 -0.56 0.00 0.00 57.45 55.64 1tnn n PHE 85 Cb 0.56 0.51 -0.11 0.00 1.52 0.00 0.00 39.48 41.97 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 -2.50 -0.18 -0.71 1.97 -4.23 -1.26 -0.68 115.64 108.05 1tnn s THR 86 Ca 0.09 0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.59 1tnn s THR 86 Cb -0.03 -0.61 0.18 0.00 1.34 0.00 0.00 72.50 73.39 1tnn s THR 86 CO 0.07 0.05 0.63 -0.76 -0.54 0.00 0.00 174.62 174.07 1tnn s LEU 87 N 1.71 6.34 0.24 4.79 2.01 -1.14 -1.95 118.68 130.68 1tnn s LEU 87 Ca -0.07 -2.48 -0.21 0.00 0.01 0.00 0.00 54.13 51.38 1tnn s LEU 87 Cb -0.09 -2.14 -0.09 0.00 0.01 0.00 0.00 46.19 43.88 1tnn s LEU 87 CO -0.13 -0.61 0.77 -0.89 1.01 0.00 0.00 176.35 176.51 1tnn s THR 88 N 0.51 4.48 0.03 5.49 2.01 -0.97 -1.01 115.64 126.18 1tnn s THR 88 Ca 0.14 1.42 0.00 0.00 0.31 0.00 0.00 61.69 63.56 1tnn s THR 88 Cb -0.17 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1tnn s THR 88 CO -0.05 0.21 0.11 -0.63 -0.69 0.00 0.00 174.62 173.57 1tnn s ILE 89 N -1.53 4.88 -1.18 1.82 1.09 -1.26 -0.45 121.20 124.58 1tnn s ILE 89 Ca 0.44 -0.46 -0.09 0.00 -1.10 0.00 0.00 60.65 59.44 1tnn s ILE 89 Cb -0.17 -3.29 0.23 0.00 -1.06 0.00 0.00 42.46 38.16 1tnn s ILE 89 CO 0.22 0.26 1.47 1.67 -0.10 0.00 0.00 174.94 178.45 1tnn n GLN 90 N 0.83 3.71 0.00 2.79 -0.06 -1.23 -4.97 117.38 118.45 1tnn n GLN 90 Ca -0.10 -4.08 0.00 0.00 -2.00 0.00 0.00 57.00 50.82 1tnn n GLN 90 Cb 0.52 -2.78 0.00 0.00 -4.06 0.00 0.00 30.24 23.92 1tnn n GLN 90 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49