#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttn n TYR 22 N 0.00 -3.42 0.00 1.61 9.36 -1.26 -5.00 117.16 118.45 1ttn n TYR 22 Ca 0.00 1.37 0.00 0.00 3.32 0.00 0.00 57.90 62.59 1ttn n TYR 22 Cb 0.00 -4.08 0.00 0.00 -0.63 0.00 0.00 39.34 34.63 1ttn n TYR 22 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1ttn n GLU 23 N -0.44 0.00 -4.00 2.98 4.07 -1.26 -5.11 120.64 116.88 1ttn n GLU 23 Ca 0.11 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.93 1ttn n GLU 23 Cb 0.46 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.67 1ttn n GLU 23 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ttn s GLN 25 N 1.56 1.49 -0.14 0.00 -0.21 -1.26 0.49 119.66 121.60 1ttn s GLN 25 Ca 0.03 -1.44 -0.04 0.00 0.02 0.00 0.00 55.36 53.93 1ttn s GLN 25 Cb -0.13 -2.79 -0.03 0.00 1.00 0.00 0.00 33.01 31.06 1ttn s GLN 25 CO -0.08 -0.81 -0.01 -1.17 -2.12 0.00 0.00 175.29 171.10 1ttn s LEU 26 N 1.18 3.43 -0.18 2.90 1.98 -0.92 -2.39 118.68 124.67 1ttn s LEU 26 Ca 0.04 -0.02 -0.23 0.00 -2.89 0.00 0.00 54.13 51.02 1ttn s LEU 26 Cb -0.19 -1.82 -0.02 0.00 0.66 0.00 0.00 46.19 44.82 1ttn s LEU 26 CO -0.10 0.23 0.74 -0.13 -1.89 0.00 0.00 176.35 175.20 1ttn s ARG 27 N 0.02 4.26 -0.34 1.98 0.52 -1.01 -1.44 118.95 122.94 1ttn s ARG 27 Ca 0.02 0.84 -0.10 0.00 -0.52 0.00 0.00 55.73 55.97 1ttn s ARG 27 Cb -0.13 -3.57 0.01 0.00 0.52 0.00 0.00 34.95 31.78 1ttn s ARG 27 CO 0.02 -0.28 0.18 -0.51 0.02 0.00 0.00 175.30 174.73 1ttn s LEU 28 N 2.01 4.41 -0.64 2.53 2.01 -0.84 0.26 118.68 128.42 1ttn s LEU 28 Ca 0.34 -0.75 -0.16 0.00 0.01 0.00 0.00 54.13 53.57 1ttn s LEU 28 Cb -0.16 -2.01 0.15 0.00 0.01 0.00 0.00 46.19 44.17 1ttn s LEU 28 CO 0.12 -0.29 0.64 0.00 1.01 0.00 0.00 176.35 177.83 1ttn s ARG 29 N 1.59 3.18 0.58 1.70 1.70 -0.29 0.57 118.95 127.97 1ttn s ARG 29 Ca 0.03 -1.81 0.02 0.00 -0.47 0.00 0.00 55.73 53.51 1ttn s ARG 29 Cb -0.18 -4.35 0.06 0.00 -0.57 0.00 0.00 34.95 29.90 1ttn s ARG 29 CO 0.06 -1.39 0.81 -0.51 -1.08 0.00 0.00 175.30 173.19 1ttn s LEU 30 N 1.56 3.23 0.00 -1.89 1.43 0.30 -1.97 118.68 121.33 1ttn s LEU 30 Ca 0.10 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1ttn s LEU 30 Cb -0.23 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1ttn s LEU 30 CO 0.00 -1.29 0.00 -0.24 0.23 0.00 0.00 176.35 175.05 1ttn n SER 31 N -2.40 -1.81 0.00 2.29 2.88 -1.26 0.21 113.62 113.53 1ttn n SER 31 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1ttn n SER 31 Cb 0.60 -1.74 0.00 0.00 -0.75 0.00 0.00 64.21 62.32 1ttn n SER 31 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ttn n THR 32 N -0.84 0.00 0.00 2.46 -1.04 -1.26 -4.79 114.28 108.82 1ttn n THR 32 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ttn n THR 32 Cb 0.15 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 1ttn n THR 32 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ttn n GLY 33 N -2.74 0.00 2.41 3.41 0.00 0.39 -5.07 105.19 103.59 1ttn n GLY 33 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1ttn n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ttn n LYS 34 N 0.00 2.38 -2.35 1.61 3.00 0.57 -4.82 118.16 118.54 1ttn n LYS 34 Ca 0.00 -4.54 -0.43 0.00 -0.00 0.00 0.00 58.31 53.34 1ttn n LYS 34 Cb 0.00 -2.16 -0.02 0.00 0.00 0.00 0.00 35.03 32.85 1ttn n LYS 34 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1ttn s ASP 35 N -2.39 6.78 -0.26 3.14 1.47 -1.12 -0.54 116.67 123.75 1ttn s ASP 35 Ca 0.40 1.59 -0.03 0.00 1.18 0.00 0.00 52.55 55.68 1ttn s ASP 35 Cb 0.16 -2.54 0.10 0.00 -0.34 0.00 0.00 42.92 40.30 1ttn s ASP 35 CO -0.02 -0.93 0.17 -0.22 0.68 0.00 0.00 175.17 174.85 1ttn s LEU 36 N 4.00 0.28 -0.26 2.11 1.98 0.19 -4.87 118.68 122.10 1ttn s LEU 36 Ca 0.59 -0.94 -0.29 0.00 -2.89 0.00 0.00 54.13 50.60 1ttn s LEU 36 Cb -0.21 -0.08 0.01 0.00 0.66 0.00 0.00 46.19 46.56 1ttn s LEU 36 CO 0.20 -0.40 1.14 -1.59 -1.89 0.00 0.00 176.35 173.81 1ttn s LYS 37 N 2.18 4.13 0.08 1.98 -2.85 -1.26 -1.99 119.74 122.02 1ttn s LYS 37 Ca 0.08 1.29 0.03 0.00 -1.00 0.00 0.00 55.97 56.36 1ttn s LYS 37 Cb -0.16 -3.74 -0.04 0.00 -2.06 0.00 0.00 37.83 31.84 1ttn s LYS 37 CO -0.28 -0.82 0.10 -1.17 0.10 0.00 0.00 175.35 173.28 1ttn s LEU 38 N 3.61 3.90 0.25 2.77 2.96 -0.52 -4.89 118.68 126.75 1ttn s LEU 38 Ca 0.48 0.03 -0.12 0.00 -0.22 0.00 0.00 54.13 54.31 1ttn s LEU 38 Cb -0.15 -2.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.89 1ttn s LEU 38 CO 0.14 0.17 0.61 0.68 -1.32 0.00 0.00 176.35 176.62 1ttn s VAL 39 N -1.42 4.84 0.27 1.68 -7.23 -1.26 -2.16 120.40 115.13 1ttn s VAL 39 Ca 0.30 0.66 -0.20 0.00 -1.81 0.00 0.00 61.98 60.93 1ttn s VAL 39 Cb -0.12 -3.63 0.02 0.00 0.56 0.00 0.00 36.38 33.21 1ttn s VAL 39 CO 0.23 -0.07 0.69 0.68 -0.31 0.00 0.00 175.10 176.31 1ttn s VAL 40 N -1.83 0.00 -0.12 1.32 -7.23 0.18 -4.97 120.40 107.74 1ttn s VAL 40 Ca 0.48 -1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 59.60 1ttn s VAL 40 Cb -0.11 -1.99 0.06 0.00 0.56 0.00 0.00 36.38 34.89 1ttn s VAL 40 CO 0.20 -0.00 0.17 -0.60 -0.31 0.00 0.00 175.10 174.55 1ttn s ARG 41 N -3.93 0.08 0.00 4.82 3.00 -1.26 -0.89 118.95 120.77 1ttn s ARG 41 Ca 0.12 0.40 0.00 0.00 -1.00 0.00 0.00 55.73 55.25 1ttn s ARG 41 Cb -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 34.95 34.21 1ttn s ARG 41 CO 0.07 -0.44 0.00 -1.13 0.00 0.00 0.00 175.30 173.80 1ttn n SER 42 N 5.32 0.00 0.00 -2.12 3.41 -1.26 0.11 113.62 119.08 1ttn n SER 42 Ca -0.05 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.65 1ttn n SER 42 Cb 0.50 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.95 1ttn n SER 42 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ttn n THR 43 N 0.00 0.36 -0.00 6.66 5.66 -1.26 -3.89 114.28 121.81 1ttn n THR 43 Ca 0.00 0.09 -0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1ttn n THR 43 Cb 0.00 -0.77 -0.00 0.00 -1.55 0.00 0.00 70.33 68.01 1ttn n THR 43 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ttn n ASP 44 N -1.25 0.05 -1.51 1.09 8.00 0.31 -4.88 116.55 118.36 1ttn n ASP 44 Ca 0.10 0.22 0.04 0.00 0.71 0.00 0.00 54.79 55.85 1ttn n ASP 44 Cb 0.14 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.71 1ttn n ASP 44 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ttn n THR 45 N -2.36 -2.24 -0.11 -3.53 -2.24 -1.25 -1.91 114.28 100.64 1ttn n THR 45 Ca -0.00 1.22 0.10 0.00 -2.27 0.00 0.00 64.05 63.10 1ttn n THR 45 Cb 0.01 -2.00 0.16 0.00 -2.10 0.00 0.00 70.33 66.40 1ttn n THR 45 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ttn n VAL 46 N -2.95 -0.07 0.06 2.28 0.31 -1.24 0.29 118.33 117.01 1ttn n VAL 46 Ca -0.02 0.45 -0.02 0.00 -0.01 0.00 0.00 64.34 64.74 1ttn n VAL 46 Cb 0.48 -0.74 -0.01 0.00 -0.91 0.00 0.00 33.84 32.66 1ttn n VAL 46 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1ttn h PHE 47 N 0.00 -0.15 -0.78 3.52 3.04 -1.72 0.95 116.94 121.80 1ttn h PHE 47 Ca 0.22 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.18 1ttn h PHE 47 Cb 0.68 0.05 -0.04 0.00 2.56 0.00 0.00 35.95 39.20 1ttn h PHE 47 CO -0.00 -0.09 0.52 0.45 -2.02 0.00 0.00 178.31 177.17 1ttn h HIS 48 N -0.18 0.97 -0.75 0.41 3.86 0.16 0.72 115.15 120.33 1ttn h HIS 48 Ca -0.02 0.02 0.15 0.00 -1.16 0.00 0.00 60.37 59.37 1ttn h HIS 48 Cb 0.12 -0.33 -0.10 0.00 1.06 0.00 0.00 27.41 28.16 1ttn h HIS 48 CO 0.16 0.60 0.25 1.98 0.86 0.00 0.00 177.93 181.79 1ttn h MET 49 N 1.04 0.35 -0.08 2.45 1.85 -0.08 0.68 114.93 121.14 1ttn h MET 49 Ca 0.29 -0.02 -0.15 0.00 -0.61 0.00 0.00 59.70 59.21 1ttn h MET 49 Cb -0.09 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 31.85 1ttn h MET 49 CO -0.07 0.23 -0.62 0.87 -0.40 0.00 0.00 176.91 176.92 1ttn h LYS 50 N 0.36 0.29 -0.14 0.39 6.56 0.36 -1.45 116.57 122.94 1ttn h LYS 50 Ca 0.42 -0.20 0.05 0.00 -1.06 0.00 0.00 60.65 59.86 1ttn h LYS 50 Cb 0.69 0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 32.32 1ttn h LYS 50 CO -0.46 0.81 -0.31 -0.09 -2.06 0.00 0.00 179.45 177.35 1ttn h ARG 51 N 0.21 -0.37 0.00 3.15 2.43 0.61 0.16 114.38 120.58 1ttn h ARG 51 Ca -0.01 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1ttn h ARG 51 Cb 1.14 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1ttn h ARG 51 CO 0.10 -0.24 -0.30 0.00 -1.51 0.00 0.00 179.97 178.02 1ttn h ARG 52 N -0.38 0.00 -0.46 0.20 3.08 -0.76 -2.65 114.38 113.41 1ttn h ARG 52 Ca 0.10 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.23 1ttn h ARG 52 Cb 0.53 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 1ttn h ARG 52 CO -0.35 0.30 0.05 -0.07 -1.07 0.00 0.00 179.97 178.83 1ttn h LEU 53 N 0.00 -0.08 -0.82 3.04 -0.00 0.40 0.41 115.31 118.26 1ttn h LEU 53 Ca -0.00 0.09 -0.07 0.00 -0.00 0.00 0.00 57.88 57.90 1ttn h LEU 53 Cb 0.61 0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.39 1ttn h LEU 53 CO 0.04 -0.01 0.12 -0.74 -0.00 0.00 0.00 178.44 177.85 1ttn h HIS 54 N 0.17 1.06 0.08 1.13 2.76 -0.98 1.23 115.15 120.61 1ttn h HIS 54 Ca 0.23 -0.13 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1ttn h HIS 54 Cb 0.31 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 1ttn h HIS 54 CO -0.25 0.89 -0.12 0.00 -1.30 0.00 0.00 177.93 177.15 1ttn h ALA 55 N 1.17 -0.20 0.12 5.26 0.00 -0.55 -0.63 119.26 124.43 1ttn h ALA 55 Ca 0.20 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.73 1ttn h ALA 55 Cb 0.39 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ttn h ALA 55 CO 0.01 -0.64 -1.93 0.00 0.00 0.00 0.00 179.25 176.69 1ttn h ALA 56 N 0.65 0.44 0.00 0.00 0.00 -0.23 -3.43 119.26 116.70 1ttn h ALA 56 Ca 0.02 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1ttn h ALA 56 Cb 0.26 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ttn h ALA 56 CO -0.07 1.32 -0.38 0.93 0.00 0.00 0.00 179.25 181.05 1ttn h GLU 57 N 0.07 0.00 0.00 0.00 4.39 0.14 -3.50 114.58 115.68 1ttn h GLU 57 Ca -0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1ttn h GLU 57 Cb 2.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.69 1ttn h GLU 57 CO 0.10 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.36 1ttn n GLY 58 N 1.65 0.10 3.44 -3.84 0.00 -0.24 -4.96 105.19 101.34 1ttn n GLY 58 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1ttn n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ttn s VAL 59 N -0.95 4.48 0.93 1.61 1.01 -1.26 -4.85 120.40 121.38 1ttn s VAL 59 Ca 0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1ttn s VAL 59 Cb 0.00 -4.68 0.15 0.00 0.00 0.00 0.00 36.38 31.85 1ttn s VAL 59 CO 0.00 -1.42 1.10 -1.83 0.00 0.00 0.00 175.10 172.95 1ttn s GLU 60 N 3.59 0.96 0.28 2.72 -1.05 -1.26 -3.14 118.70 120.80 1ttn s GLU 60 Ca 0.23 0.61 -0.06 0.00 -0.15 0.00 0.00 54.97 55.60 1ttn s GLU 60 Cb -0.16 -1.79 0.53 0.00 -0.44 0.00 0.00 34.13 32.27 1ttn s GLU 60 CO 0.06 -2.39 1.57 -1.35 0.95 0.00 0.00 175.26 174.09 1ttn h PRO 61 N -1.65 0.00 -0.59 -4.83 0.11 -1.91 1.22 132.00 124.35 1ttn h PRO 61 Ca -0.52 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.69 1ttn h PRO 61 Cb 1.31 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.38 1ttn h PRO 61 CO 0.57 0.00 0.40 0.78 -0.21 0.00 0.00 178.00 179.54 1ttn h GLY 62 N 0.00 0.58 -1.06 -0.55 0.00 -2.00 -0.64 103.07 99.41 1ttn h GLY 62 Ca 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1ttn h GLY 62 CO -0.98 0.11 -0.45 1.44 0.00 0.00 0.00 176.54 176.66 1ttn n SER 63 N -4.47 2.10 -3.73 0.19 7.64 0.31 -4.73 113.62 110.93 1ttn n SER 63 Ca 0.09 -1.55 -0.42 0.00 1.01 0.00 0.00 58.87 58.01 1ttn n SER 63 Cb 0.35 0.45 -0.00 0.00 -1.01 0.00 0.00 64.21 64.00 1ttn n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ttn n GLN 64 N 0.07 2.94 -2.94 1.43 6.02 0.34 -3.65 117.38 121.59 1ttn n GLN 64 Ca 0.09 -2.68 -0.44 0.00 -0.01 0.00 0.00 57.00 53.97 1ttn n GLN 64 Cb 0.48 -3.25 -0.03 0.00 1.02 0.00 0.00 30.24 28.47 1ttn n GLN 64 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ttn s ARG 65 N 2.91 3.60 0.06 -1.09 0.52 -0.85 -4.92 118.95 119.18 1ttn s ARG 65 Ca 0.47 -1.78 -0.31 0.00 -0.52 0.00 0.00 55.73 53.59 1ttn s ARG 65 Cb 0.14 -4.90 -0.07 0.00 0.52 0.00 0.00 34.95 30.64 1ttn s ARG 65 CO -0.08 -1.76 1.39 1.67 0.02 0.00 0.00 175.30 176.55 1ttn s TRP 66 N 2.61 3.06 -0.17 -0.53 1.48 -1.26 -0.73 118.94 123.40 1ttn s TRP 66 Ca 0.32 0.89 -0.05 0.00 -1.06 0.00 0.00 56.10 56.20 1ttn s TRP 66 Cb -0.05 -3.67 0.08 0.00 -1.16 0.00 0.00 33.47 28.67 1ttn s TRP 66 CO -0.09 -2.41 0.33 -0.06 -4.06 0.00 0.00 176.95 170.65 1ttn s PHE 67 N 1.68 -0.58 -0.25 1.66 0.08 0.33 -2.13 117.98 118.77 1ttn s PHE 67 Ca 0.64 1.12 0.00 0.00 0.12 0.00 0.00 56.93 58.82 1ttn s PHE 67 Cb -0.34 0.07 0.04 0.00 -0.57 0.00 0.00 43.02 42.22 1ttn s PHE 67 CO 0.29 -0.44 -0.09 0.12 -0.10 0.00 0.00 175.22 175.00 1ttn s PHE 68 N 2.50 3.14 -0.29 0.36 2.19 0.11 0.17 117.98 126.16 1ttn s PHE 68 Ca 0.01 -1.92 0.00 0.00 0.33 0.00 0.00 56.93 55.35 1ttn s PHE 68 Cb -0.12 -2.00 0.00 0.00 -1.31 0.00 0.00 43.02 39.59 1ttn s PHE 68 CO -0.11 -0.81 0.00 0.45 1.83 0.00 0.00 175.22 176.58 1ttn n SER 69 N 4.56 -5.23 0.00 6.13 2.88 -1.26 -1.86 113.62 118.84 1ttn n SER 69 Ca -0.16 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1ttn n SER 69 Cb 0.45 -2.96 0.00 0.00 -0.75 0.00 0.00 64.21 60.95 1ttn n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ttn n GLY 70 N -0.13 1.19 3.22 0.46 0.00 -1.26 -5.11 105.19 103.56 1ttn n GLY 70 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1ttn n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ttn s ARG 71 N -0.62 2.05 -0.03 1.61 3.00 -0.78 -5.09 118.95 119.09 1ttn s ARG 71 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 55.73 54.65 1ttn s ARG 71 Cb 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 34.95 33.06 1ttn s ARG 71 CO 0.00 0.38 1.48 -2.14 0.00 0.00 0.00 175.30 175.03 1ttn s PRO 72 N -0.26 4.24 0.85 3.54 0.02 -1.26 0.09 135.00 142.23 1ttn s PRO 72 Ca 0.01 2.03 -0.12 0.00 0.02 0.00 0.00 61.00 62.95 1ttn s PRO 72 Cb -0.11 -3.72 0.10 0.00 0.02 0.00 0.00 34.50 30.80 1ttn s PRO 72 CO 0.01 -0.69 1.11 -0.51 -0.33 0.00 0.00 177.00 176.60 1ttn s LEU 73 N 3.03 2.33 0.44 -5.54 2.01 -0.90 -4.92 118.68 115.12 1ttn s LEU 73 Ca 0.67 1.22 0.03 0.00 0.01 0.00 0.00 54.13 56.05 1ttn s LEU 73 Cb -0.32 -3.70 -0.02 0.00 0.01 0.00 0.00 46.19 42.16 1ttn s LEU 73 CO 0.26 -2.29 0.09 0.28 1.01 0.00 0.00 176.35 175.71 1ttn s THR 74 N -3.16 0.81 -1.08 5.49 -1.32 -1.26 -4.87 115.64 110.26 1ttn s THR 74 Ca 0.62 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 59.11 1ttn s THR 74 Cb -0.15 -2.31 0.04 0.00 -1.51 0.00 0.00 72.50 68.57 1ttn s THR 74 CO 0.54 0.00 0.62 -0.67 -2.21 0.00 0.00 174.62 172.90 1ttn n ASP 75 N -1.28 1.13 -1.33 8.08 2.03 -1.26 -3.24 116.55 120.68 1ttn n ASP 75 Ca -0.10 -2.04 0.04 0.00 0.52 0.00 0.00 54.79 53.21 1ttn n ASP 75 Cb 0.66 -0.46 0.05 0.00 -0.72 0.00 0.00 41.12 40.65 1ttn n ASP 75 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ttn n LYS 76 N -0.02 0.28 -0.04 -0.67 5.02 -1.26 -4.67 118.16 116.81 1ttn n LYS 76 Ca 0.01 -2.22 -0.22 0.00 -2.02 0.00 0.00 58.31 53.87 1ttn n LYS 76 Cb 0.27 -0.29 -0.13 0.00 -0.02 0.00 0.00 35.03 34.86 1ttn n LYS 76 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1ttn n MET 77 N 0.21 0.69 0.22 1.97 2.81 -1.20 -3.72 117.12 118.09 1ttn n MET 77 Ca 0.08 0.38 -0.10 0.00 -1.81 0.00 0.00 57.70 56.25 1ttn n MET 77 Cb 1.07 -1.72 -0.05 0.00 -0.71 0.00 0.00 33.22 31.81 1ttn n MET 77 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1ttn h LYS 78 N -0.33 -0.58 0.00 0.03 1.79 -1.89 0.40 116.57 116.00 1ttn h LYS 78 Ca -0.40 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1ttn h LYS 78 Cb 1.77 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.55 1ttn h LYS 78 CO -0.03 -0.39 0.03 0.35 -1.08 0.00 0.00 179.45 178.34 1ttn h PHE 79 N -0.60 0.00 0.00 -1.35 3.57 -1.81 -1.16 116.94 115.59 1ttn h PHE 79 Ca -0.05 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.26 1ttn h PHE 79 Cb 0.48 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1ttn h PHE 79 CO 0.00 0.00 -1.49 -1.91 -2.23 0.00 0.00 178.31 172.68 1ttn n GLU 80 N -2.46 0.62 -0.04 1.11 2.13 -0.56 -4.59 120.64 116.86 1ttn n GLU 80 Ca -0.02 0.22 -0.03 0.00 0.66 0.00 0.00 57.16 58.00 1ttn n GLU 80 Cb 0.08 -1.79 -0.01 0.00 0.27 0.00 0.00 31.44 29.98 1ttn n GLU 80 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1ttn n GLU 81 N -2.90 0.24 -0.84 5.31 4.07 0.13 -4.92 120.64 121.73 1ttn n GLU 81 Ca -0.11 0.35 0.00 0.00 -0.06 0.00 0.00 57.16 57.34 1ttn n GLU 81 Cb 0.87 -1.20 0.00 0.00 -0.06 0.00 0.00 31.44 31.05 1ttn n GLU 81 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1ttn n LEU 82 N -3.48 0.95 -0.24 4.31 4.77 -0.67 -4.68 117.00 117.95 1ttn n LEU 82 Ca -0.04 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.97 1ttn n LEU 82 Cb 0.16 -2.17 0.02 0.00 -2.33 0.00 0.00 43.42 39.10 1ttn n LEU 82 CO 0.06 -0.84 0.33 0.29 -1.33 0.00 0.00 177.39 175.90 1ttn n LYS 83 N 0.32 0.20 -0.24 3.23 4.76 -1.26 -4.72 118.16 120.45 1ttn n LYS 83 Ca 0.00 -0.83 0.16 0.00 -2.87 0.00 0.00 58.31 54.77 1ttn n LYS 83 Cb 0.37 -1.10 0.46 0.00 -1.84 0.00 0.00 35.03 32.92 1ttn n LYS 83 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1ttn h ILE 84 N 1.19 0.75 -0.11 -0.18 3.07 -1.83 -3.34 117.51 117.05 1ttn h ILE 84 Ca 0.00 -0.17 -0.39 0.00 1.55 0.00 0.00 64.86 65.85 1ttn h ILE 84 Cb 0.26 0.20 -0.09 0.00 -0.27 0.00 0.00 36.82 36.91 1ttn h ILE 84 CO 0.00 0.09 1.77 -0.81 -1.05 0.00 0.00 178.15 178.15 1ttn n PRO 85 N -4.53 0.09 -1.13 0.16 -0.04 -1.01 0.14 135.00 128.68 1ttn n PRO 85 Ca 0.18 -0.07 -0.05 0.00 -0.04 0.00 0.00 63.50 63.53 1ttn n PRO 85 Cb 0.59 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1ttn n PRO 85 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ttn n LYS 86 N 6.97 -1.38 -0.04 0.54 4.76 -1.26 -4.79 118.16 122.97 1ttn n LYS 86 Ca 0.64 0.57 -0.06 0.00 -2.87 0.00 0.00 58.31 56.59 1ttn n LYS 86 Cb 0.14 -4.70 -0.03 0.00 -1.84 0.00 0.00 35.03 28.60 1ttn n LYS 86 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ttn n ASP 87 N -0.69 2.70 -4.55 4.39 8.00 0.12 -5.05 116.55 121.47 1ttn n ASP 87 Ca -0.05 -0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.14 1ttn n ASP 87 Cb 0.41 -0.14 -0.11 0.00 -0.02 0.00 0.00 41.12 41.26 1ttn n ASP 87 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ttn s TYR 88 N -2.14 2.77 -0.19 1.24 1.51 -0.82 -4.99 117.35 114.73 1ttn s TYR 88 Ca -0.10 -0.12 -0.05 0.00 -1.01 0.00 0.00 57.07 55.79 1ttn s TYR 88 Cb 0.03 -1.54 0.07 0.00 -0.11 0.00 0.00 41.96 40.41 1ttn s TYR 88 CO 0.16 0.35 0.09 0.54 -1.11 0.00 0.00 175.55 175.58 1ttn s VAL 89 N -1.02 -0.05 0.01 0.71 0.11 -1.26 -2.42 120.40 116.49 1ttn s VAL 89 Ca 0.17 -0.28 -0.30 0.00 -2.93 0.00 0.00 61.98 58.64 1ttn s VAL 89 Cb -0.11 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1ttn s VAL 89 CO 0.08 -0.35 1.04 -0.69 -3.33 0.00 0.00 175.10 171.85 1ttn s VAL 90 N 2.12 4.65 -0.22 2.04 1.01 0.14 -4.79 120.40 125.34 1ttn s VAL 90 Ca 0.03 1.90 -0.16 0.00 0.00 0.00 0.00 61.98 63.75 1ttn s VAL 90 Cb -0.16 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1ttn s VAL 90 CO -0.13 0.13 0.42 -1.58 0.00 0.00 0.00 175.10 173.94 1ttn s GLN 91 N 1.13 4.13 0.41 2.72 -0.44 0.45 -1.14 119.66 126.92 1ttn s GLN 91 Ca 0.53 0.20 0.08 0.00 -2.50 0.00 0.00 55.36 53.68 1ttn s GLN 91 Cb -0.23 -3.58 0.00 0.00 -1.64 0.00 0.00 33.01 27.57 1ttn s GLN 91 CO 0.27 -0.13 0.51 0.14 0.50 0.00 0.00 175.29 176.58 1ttn s VAL 92 N 1.61 3.06 -0.04 1.34 -7.23 -0.83 0.12 120.40 118.43 1ttn s VAL 92 Ca 0.19 -1.08 -0.01 0.00 -1.81 0.00 0.00 61.98 59.27 1ttn s VAL 92 Cb -0.15 -3.05 0.03 0.00 0.56 0.00 0.00 36.38 33.77 1ttn s VAL 92 CO 0.09 -0.02 0.08 -0.63 -0.31 0.00 0.00 175.10 174.30 1ttn s ILE 93 N -2.35 -0.05 -0.33 -0.62 1.01 0.09 -4.24 121.20 114.70 1ttn s ILE 93 Ca 0.52 0.20 -0.00 0.00 0.00 0.00 0.00 60.65 61.36 1ttn s ILE 93 Cb -0.08 -0.15 0.10 0.00 0.01 0.00 0.00 42.46 42.34 1ttn s ILE 93 CO 0.32 0.08 0.12 0.54 0.00 0.00 0.00 174.94 175.99 1ttn s VAL 94 N 1.08 0.91 -0.47 2.92 0.11 -1.24 -2.01 120.40 121.70 1ttn s VAL 94 Ca -0.09 -1.53 0.03 0.00 -2.93 0.00 0.00 61.98 57.46 1ttn s VAL 94 Cb -0.12 -1.69 0.58 0.00 -1.53 0.00 0.00 36.38 33.62 1ttn s VAL 94 CO -0.04 -0.71 1.84 -1.20 -3.33 0.00 0.00 175.10 171.66 1ttn n SER 95 N 4.68 4.55 -3.27 3.54 7.64 -1.26 -4.68 113.62 124.81 1ttn n SER 95 Ca -0.00 -3.69 -0.27 0.00 1.01 0.00 0.00 58.87 55.92 1ttn n SER 95 Cb 0.41 -0.82 -0.07 0.00 -1.01 0.00 0.00 64.21 62.72 1ttn n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ttn n GLN 96 N -1.07 2.58 0.10 1.43 6.02 -1.26 -4.87 117.38 120.31 1ttn n GLN 96 Ca 0.56 -4.61 0.12 0.00 -0.01 0.00 0.00 57.00 53.05 1ttn n GLN 96 Cb 1.30 -2.18 0.46 0.00 1.02 0.00 0.00 30.24 30.84 1ttn n GLN 96 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1ttn n PRO 97 N 0.57 0.18 -0.09 -1.09 -0.04 -1.26 -3.18 135.00 130.08 1ttn n PRO 97 Ca 0.30 0.34 -0.13 0.00 -0.04 0.00 0.00 63.50 63.97 1ttn n PRO 97 Cb 0.42 -1.80 -0.15 0.00 -0.04 0.00 0.00 33.50 31.93 1ttn n PRO 97 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1ttn n VAL 98 N -2.13 1.47 -1.85 0.52 3.14 -1.26 -4.77 118.33 113.45 1ttn n VAL 98 Ca 0.03 -0.76 -0.21 0.00 -2.96 0.00 0.00 64.34 60.43 1ttn n VAL 98 Cb 0.27 -0.86 -0.08 0.00 -1.06 0.00 0.00 33.84 32.12 1ttn n VAL 98 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1ttn s GLN 99 N -2.52 1.98 0.00 1.45 -1.52 -1.19 -5.30 119.66 112.56 1ttn s GLN 99 Ca -0.17 -0.47 0.00 0.00 -1.95 0.00 0.00 55.36 52.78 1ttn s GLN 99 Cb 0.07 -5.05 0.00 0.00 -0.22 0.00 0.00 33.01 27.81 1ttn s GLN 99 CO 0.77 -4.36 0.00 0.09 -0.25 0.00 0.00 175.29 171.53