#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 -0.57 0.00 1.61 4.02 -1.26 -5.09 117.16 115.86 1ttn n TYR 22 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 1ttn n TYR 22 Cb 0.00 0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 1ttn n TYR 22 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1ttn n GLU 23 N -2.78 0.00 -3.89 -0.72 4.07 -1.26 -5.09 120.64 110.98 1ttn n GLU 23 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 1ttn n GLU 23 Cb 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.29 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 -2.42 0.49 -0.05 0.00 -0.21 -1.26 0.52 119.66 116.74 1ttn s GLN 25 Ca -0.06 1.19 0.06 0.00 0.02 0.00 0.00 55.36 56.58 1ttn s GLN 25 Cb -0.02 0.46 -0.01 0.00 1.00 0.00 0.00 33.01 34.43 1ttn s GLN 25 CO -0.03 -0.20 -0.25 -1.17 -2.12 0.00 0.00 175.29 171.52 1ttn s LEU 26 N 2.40 2.06 0.22 2.90 0.20 -0.92 -4.64 118.68 120.89 1ttn s LEU 26 Ca -0.06 -0.49 -0.30 0.00 0.69 0.00 0.00 54.13 53.97 1ttn s LEU 26 Cb -0.10 -1.33 -0.08 0.00 -0.43 0.00 0.00 46.19 44.24 1ttn s LEU 26 CO -0.16 0.26 1.01 -0.13 -0.29 0.00 0.00 176.35 177.04 1ttn s ARG 27 N -0.26 4.73 -0.34 1.98 0.52 -0.97 -1.22 118.95 123.39 1ttn s ARG 27 Ca -0.00 1.61 0.01 0.00 -0.52 0.00 0.00 55.73 56.83 1ttn s ARG 27 Cb -0.13 -3.27 0.09 0.00 0.52 0.00 0.00 34.95 32.16 1ttn s ARG 27 CO 0.02 0.31 0.05 -0.51 0.02 0.00 0.00 175.30 175.19 1ttn s LEU 28 N -0.90 4.51 -0.71 2.53 2.01 -0.63 0.68 118.68 126.17 1ttn s LEU 28 Ca 0.44 -1.86 -0.23 0.00 0.01 0.00 0.00 54.13 52.50 1ttn s LEU 28 Cb -0.28 -1.67 0.07 0.00 0.01 0.00 0.00 46.19 44.32 1ttn s LEU 28 CO 0.34 -0.36 1.05 -0.60 1.01 0.00 0.00 176.35 177.79 1ttn s ARG 29 N 1.04 3.18 0.23 1.70 3.00 -0.81 -1.72 118.95 125.58 1ttn s ARG 29 Ca 0.04 -0.82 -0.29 0.00 -1.00 0.00 0.00 55.73 53.67 1ttn s ARG 29 Cb -0.20 -4.32 -0.09 0.00 0.00 0.00 0.00 34.95 30.34 1ttn s ARG 29 CO -0.06 -1.89 0.90 -0.51 0.00 0.00 0.00 175.30 173.75 1ttn s LEU 30 N 4.27 4.61 0.58 -0.88 2.01 0.22 -1.94 118.68 127.55 1ttn s LEU 30 Ca 0.26 1.87 0.28 0.00 0.01 0.00 0.00 54.13 56.56 1ttn s LEU 30 Cb -0.14 -3.58 1.49 0.00 0.01 0.00 0.00 46.19 43.98 1ttn s LEU 30 CO 0.09 0.15 1.94 -1.28 1.01 0.00 0.00 176.35 178.25 1ttn h SER 31 N 4.10 0.00 0.15 2.29 0.87 -1.84 0.95 113.55 120.07 1ttn h SER 31 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1ttn h SER 31 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1ttn h SER 31 CO 0.67 0.00 -0.02 1.07 -0.53 0.00 0.00 176.83 178.02 1ttn n THR 32 N -3.86 0.00 -0.68 2.23 5.66 -1.26 -4.85 114.28 111.52 1ttn n THR 32 Ca 0.08 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1ttn n THR 32 Cb 0.63 -0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 1ttn n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ttn n GLY 33 N 1.13 1.09 2.98 1.09 0.00 0.32 -5.06 105.19 106.75 1ttn n GLY 33 Ca 0.20 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1ttn n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ttn s LYS 34 N -1.49 2.21 -0.44 1.61 2.47 -0.82 -4.87 119.74 118.41 1ttn s LYS 34 Ca 0.00 -2.71 -0.11 0.00 -1.56 0.00 0.00 55.97 51.59 1ttn s LYS 34 Cb 0.00 -3.45 0.09 0.00 -1.46 0.00 0.00 37.83 33.01 1ttn s LYS 34 CO 0.00 -1.15 0.31 0.16 0.16 0.00 0.00 175.35 174.84 1ttn s ASP 35 N -0.21 5.79 -0.04 1.43 -4.77 -1.17 0.73 116.67 118.43 1ttn s ASP 35 Ca 0.18 -1.53 -0.00 0.00 -3.30 0.00 0.00 52.55 47.90 1ttn s ASP 35 Cb -0.22 -2.05 0.03 0.00 -1.09 0.00 0.00 42.92 39.59 1ttn s ASP 35 CO -0.03 -0.60 0.00 -0.22 0.70 0.00 0.00 175.17 175.02 1ttn s LEU 36 N 1.48 0.96 -0.62 2.11 1.98 -0.70 -4.83 118.68 119.06 1ttn s LEU 36 Ca 0.04 -0.04 -0.27 0.00 -2.89 0.00 0.00 54.13 50.96 1ttn s LEU 36 Cb -0.24 -0.28 0.03 0.00 0.66 0.00 0.00 46.19 46.36 1ttn s LEU 36 CO 0.03 -0.13 1.19 -0.75 -1.89 0.00 0.00 176.35 174.80 1ttn s LYS 37 N 1.32 3.40 0.12 1.98 2.20 -1.26 -1.60 119.74 125.90 1ttn s LYS 37 Ca -0.05 0.05 -0.28 0.00 -0.36 0.00 0.00 55.97 55.33 1ttn s LYS 37 Cb -0.13 -4.07 -0.07 0.00 -1.51 0.00 0.00 37.83 32.06 1ttn s LYS 37 CO -0.02 -1.80 0.87 -1.17 -0.36 0.00 0.00 175.35 172.87 1ttn s LEU 38 N 5.07 4.52 -0.13 5.43 2.96 -0.36 -4.75 118.68 131.42 1ttn s LEU 38 Ca 0.39 1.69 -0.29 0.00 -0.22 0.00 0.00 54.13 55.70 1ttn s LEU 38 Cb -0.08 -3.43 -0.03 0.00 0.50 0.00 0.00 46.19 43.15 1ttn s LEU 38 CO 0.22 0.04 1.40 0.68 -1.32 0.00 0.00 176.35 177.37 1ttn s VAL 39 N -0.40 4.04 0.29 1.68 -7.23 -1.26 -2.15 120.40 115.36 1ttn s VAL 39 Ca 0.42 1.25 0.04 0.00 -1.81 0.00 0.00 61.98 61.88 1ttn s VAL 39 Cb -0.23 -3.81 -0.06 0.00 0.56 0.00 0.00 36.38 32.84 1ttn s VAL 39 CO 0.27 -0.12 0.01 0.68 -0.31 0.00 0.00 175.10 175.64 1ttn s VAL 40 N 3.71 1.24 -0.32 1.32 -7.23 0.19 -4.95 120.40 114.37 1ttn s VAL 40 Ca 0.61 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1ttn s VAL 40 Cb -0.26 -2.59 0.16 0.00 0.56 0.00 0.00 36.38 34.26 1ttn s VAL 40 CO 0.20 -0.16 0.42 -0.60 -0.31 0.00 0.00 175.10 174.65 1ttn s ARG 41 N -3.85 0.49 0.00 4.82 3.00 -1.26 -0.44 118.95 121.71 1ttn s ARG 41 Ca 0.33 -0.10 0.00 0.00 -1.00 0.00 0.00 55.73 54.96 1ttn s ARG 41 Cb 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 34.95 34.67 1ttn s ARG 41 CO 0.13 -1.08 0.00 -1.13 0.00 0.00 0.00 175.30 173.22 1ttn n SER 42 N 5.06 0.00 0.02 -2.12 3.41 -1.26 -2.03 113.62 116.70 1ttn n SER 42 Ca 0.04 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.77 1ttn n SER 42 Cb 0.49 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.72 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 0.12 -1.13 6.66 5.66 -1.26 -3.63 114.28 120.70 1ttn n THR 43 Ca 0.00 -0.09 -0.28 0.00 -3.05 0.00 0.00 64.05 60.64 1ttn n THR 43 Cb 0.00 0.02 0.08 0.00 -1.55 0.00 0.00 70.33 68.88 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 -1.70 6.73 -4.20 1.09 9.92 -0.86 -4.69 116.55 122.83 1ttn n ASP 44 Ca 0.05 -3.52 -0.29 0.00 -0.53 0.00 0.00 54.79 50.50 1ttn n ASP 44 Cb 0.37 -0.97 0.23 0.00 -0.64 0.00 0.00 41.12 40.11 1ttn n ASP 44 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1ttn n THR 45 N -0.56 0.00 -0.19 -3.53 -2.24 -1.25 -2.40 114.28 104.10 1ttn n THR 45 Ca 0.52 -0.34 0.16 0.00 -2.27 0.00 0.00 64.05 62.11 1ttn n THR 45 Cb 0.77 -0.81 0.26 0.00 -2.10 0.00 0.00 70.33 68.44 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 -4.88 -0.07 0.09 2.28 0.31 -1.26 0.58 118.33 115.38 1ttn n VAL 46 Ca 0.03 0.64 -0.03 0.00 -0.01 0.00 0.00 64.34 64.96 1ttn n VAL 46 Cb 0.57 -1.05 -0.02 0.00 -0.91 0.00 0.00 33.84 32.43 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 -0.21 -0.95 3.52 3.04 -1.79 0.95 116.94 121.51 1ttn h PHE 47 Ca 0.33 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.27 1ttn h PHE 47 Cb 1.12 0.07 -0.05 0.00 2.56 0.00 0.00 35.95 39.65 1ttn h PHE 47 CO -0.00 -0.13 0.58 0.45 -2.02 0.00 0.00 178.31 177.19 1ttn h HIS 48 N -0.25 1.23 -0.83 0.41 3.86 -0.46 0.78 115.15 119.88 1ttn h HIS 48 Ca -0.02 0.00 0.20 0.00 -1.16 0.00 0.00 60.37 59.39 1ttn h HIS 48 Cb 0.17 -0.41 -0.12 0.00 1.06 0.00 0.00 27.41 28.11 1ttn h HIS 48 CO 0.16 0.81 0.27 1.98 0.86 0.00 0.00 177.93 182.01 1ttn h MET 49 N 1.30 0.30 -0.05 2.45 4.05 0.51 1.01 114.93 124.50 1ttn h MET 49 Ca 0.34 -0.02 -0.18 0.00 -0.28 0.00 0.00 59.70 59.56 1ttn h MET 49 Cb -0.08 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.65 1ttn h MET 49 CO -0.07 0.20 -0.76 0.87 0.23 0.00 0.00 176.91 177.38 1ttn h LYS 50 N 0.31 0.31 0.17 0.39 1.79 0.30 -0.59 116.57 119.24 1ttn h LYS 50 Ca 0.50 -0.27 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 1ttn h LYS 50 Cb 0.93 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 1ttn h LYS 50 CO -0.55 0.93 -0.15 -0.09 -1.08 0.00 0.00 179.45 178.51 1ttn h ARG 51 N 0.21 -0.30 0.00 3.15 9.65 0.73 0.04 114.38 127.86 1ttn h ARG 51 Ca -0.03 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1ttn h ARG 51 Cb 1.34 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.98 1ttn h ARG 51 CO 0.12 -0.20 -0.03 0.00 2.80 0.00 0.00 179.97 182.67 1ttn h ARG 52 N -0.31 0.00 -0.73 0.20 3.08 -0.25 -0.80 114.38 115.56 1ttn h ARG 52 Ca -0.02 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1ttn h ARG 52 Cb 0.27 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 1ttn h ARG 52 CO -0.01 0.03 0.45 -0.07 -1.07 0.00 0.00 179.97 179.30 1ttn h LEU 53 N 0.00 0.73 -0.79 3.04 -0.00 -0.18 0.88 115.31 118.99 1ttn h LEU 53 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 1ttn h LEU 53 Cb 0.07 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.56 1ttn h LEU 53 CO 0.00 0.50 -0.06 1.12 -0.00 0.00 0.00 178.44 180.00 1ttn h HIS 54 N 0.87 0.93 -0.07 1.13 2.07 0.47 -0.20 115.15 120.34 1ttn h HIS 54 Ca 0.30 -0.16 -0.08 0.00 -2.85 0.00 0.00 60.37 57.58 1ttn h HIS 54 Cb 0.05 -0.24 -0.01 0.00 2.57 0.00 0.00 27.41 29.78 1ttn h HIS 54 CO -0.04 0.87 -0.33 0.00 -3.07 0.00 0.00 177.93 175.36 1ttn h ALA 55 N 1.15 1.31 0.07 6.11 0.00 -0.76 0.83 119.26 127.97 1ttn h ALA 55 Ca 0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ttn h ALA 55 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ttn h ALA 55 CO 0.03 0.49 -0.03 0.00 0.00 0.00 0.00 179.25 179.74 1ttn h ALA 56 N 1.54 -0.17 0.01 0.00 0.00 0.13 -3.43 119.26 117.34 1ttn h ALA 56 Ca 0.02 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1ttn h ALA 56 Cb 0.65 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1ttn h ALA 56 CO 0.05 -0.17 -1.37 -0.85 0.00 0.00 0.00 179.25 176.91 1ttn n GLU 57 N -3.28 0.58 0.00 0.00 0.28 -0.14 -5.02 120.64 113.07 1ttn n GLU 57 Ca -0.01 0.54 0.00 0.00 -0.16 0.00 0.00 57.16 57.53 1ttn n GLU 57 Cb 0.04 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.17 1ttn n GLU 57 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ttn n GLY 58 N 1.48 -0.07 3.45 -1.84 0.00 0.29 -5.03 105.19 103.47 1ttn n GLY 58 Ca -0.33 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 1ttn n GLY 58 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ttn n VAL 59 N 0.00 4.24 -0.10 1.61 0.31 -1.24 -4.74 118.33 118.41 1ttn n VAL 59 Ca 0.00 -4.68 -0.23 0.00 -0.01 0.00 0.00 64.34 59.42 1ttn n VAL 59 Cb 0.00 -2.46 -0.12 0.00 -0.91 0.00 0.00 33.84 30.36 1ttn n VAL 59 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ttn n GLU 60 N 5.70 0.60 0.00 5.55 2.13 -1.26 -3.58 120.64 129.78 1ttn n GLU 60 Ca 0.38 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.66 1ttn n GLU 60 Cb 0.43 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.45 1ttn n GLU 60 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1ttn n PRO 61 N -4.23 1.76 0.00 5.31 -0.02 -1.26 -4.71 135.00 131.84 1ttn n PRO 61 Ca -0.37 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.18 1ttn n PRO 61 Cb 0.78 0.00 0.37 0.00 -0.02 0.00 0.00 33.50 34.63 1ttn n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ttn n GLY 62 N 0.00 -0.51 0.03 -1.23 0.00 -1.26 -3.25 105.19 98.98 1ttn n GLY 62 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.99 1ttn n GLY 62 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ttn n SER 63 N -0.89 0.14 -3.72 1.61 3.41 -1.26 -4.01 113.62 108.90 1ttn n SER 63 Ca 0.09 0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 58.84 1ttn n SER 63 Cb 0.04 -0.57 -0.00 0.00 -0.26 0.00 0.00 64.21 63.42 1ttn n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ttn n GLN 64 N -1.67 2.96 -2.87 4.33 6.02 -1.20 -3.47 117.38 121.48 1ttn n GLN 64 Ca 0.01 -2.65 -0.43 0.00 -0.01 0.00 0.00 57.00 53.92 1ttn n GLN 64 Cb 0.07 -3.23 -0.04 0.00 1.02 0.00 0.00 30.24 28.06 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 3.16 0.02 -1.09 0.52 -0.86 -4.94 118.95 118.67 1ttn s ARG 65 Ca 0.48 -0.69 -0.30 0.00 -0.52 0.00 0.00 55.73 54.69 1ttn s ARG 65 Cb 0.14 -4.18 -0.04 0.00 0.52 0.00 0.00 34.95 31.40 1ttn s ARG 65 CO -0.08 -1.71 0.99 1.67 0.02 0.00 0.00 175.30 176.19 1ttn s TRP 66 N 3.98 3.68 -0.23 -0.53 -2.14 -1.26 -1.26 118.94 121.17 1ttn s TRP 66 Ca 0.24 1.70 -0.08 0.00 2.66 0.00 0.00 56.10 60.62 1ttn s TRP 66 Cb -0.16 -3.12 0.10 0.00 -3.10 0.00 0.00 33.47 27.19 1ttn s TRP 66 CO 0.12 -0.03 0.50 -0.06 -2.66 0.00 0.00 176.95 174.82 1ttn s PHE 67 N 0.83 -0.98 -0.13 1.66 0.08 0.33 -2.26 117.98 117.51 1ttn s PHE 67 Ca 0.51 1.79 0.02 0.00 0.12 0.00 0.00 56.93 59.38 1ttn s PHE 67 Cb -0.22 0.47 0.01 0.00 -0.57 0.00 0.00 43.02 42.71 1ttn s PHE 67 CO 0.28 -0.54 -0.20 0.12 -0.10 0.00 0.00 175.22 174.78 1ttn s PHE 68 N 2.68 2.47 0.00 0.36 2.19 0.90 0.21 117.98 126.80 1ttn s PHE 68 Ca -0.03 -1.24 0.00 0.00 0.33 0.00 0.00 56.93 55.98 1ttn s PHE 68 Cb -0.12 -1.71 0.00 0.00 -1.31 0.00 0.00 43.02 39.88 1ttn s PHE 68 CO -0.15 -0.59 0.00 0.43 1.83 0.00 0.00 175.22 176.75 1ttn n SER 69 N 4.14 -5.07 0.00 6.13 7.64 -1.26 -1.79 113.62 123.41 1ttn n SER 69 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1ttn n SER 69 Cb 0.51 -2.78 0.00 0.00 -1.01 0.00 0.00 64.21 60.93 1ttn n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ttn n GLY 70 N -0.00 1.12 3.15 0.23 0.00 -1.26 -5.11 105.19 103.32 1ttn n GLY 70 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.39 0.91 -0.03 1.61 3.00 -0.74 -5.11 118.95 118.19 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 -0.91 -0.05 0.00 0.00 0.00 0.00 34.95 33.98 1ttn s ARG 71 CO 0.00 0.22 1.50 -1.25 0.00 0.00 0.00 175.30 175.77 1ttn s PRO 72 N -1.23 4.23 0.69 3.54 0.04 -1.26 -0.07 135.00 140.94 1ttn s PRO 72 Ca 0.01 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.01 1ttn s PRO 72 Cb -0.08 -3.73 0.04 0.00 0.04 0.00 0.00 34.50 30.76 1ttn s PRO 72 CO 0.01 -0.70 1.03 -0.51 0.04 0.00 0.00 177.00 176.87 1ttn s LEU 73 N 3.09 2.91 0.00 -3.56 1.02 -0.96 -4.90 118.68 116.28 1ttn s LEU 73 Ca 0.67 0.74 0.04 0.00 0.02 0.00 0.00 54.13 55.61 1ttn s LEU 73 Cb -0.32 -3.45 0.04 0.00 0.02 0.00 0.00 46.19 42.48 1ttn s LEU 73 CO 0.27 -1.43 0.35 0.35 0.02 0.00 0.00 176.35 175.90 1ttn n THR 74 N -2.91 0.00 -0.21 5.49 -2.24 -1.26 -4.85 114.28 108.31 1ttn n THR 74 Ca 0.07 -1.63 -0.13 0.00 -2.27 0.00 0.00 64.05 60.08 1ttn n THR 74 Cb 0.59 -0.20 0.09 0.00 -2.10 0.00 0.00 70.33 68.71 1ttn n THR 74 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ttn n ASP 75 N -1.95 3.57 -1.73 3.42 5.75 -1.26 -3.76 116.55 120.59 1ttn n ASP 75 Ca 0.00 -2.86 -0.04 0.00 -0.01 0.00 0.00 54.79 51.89 1ttn n ASP 75 Cb 0.47 -0.70 0.01 0.00 -1.03 0.00 0.00 41.12 39.88 1ttn n ASP 75 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ttn n LYS 76 N -0.33 0.57 0.08 0.11 5.02 -1.26 -4.51 118.16 117.85 1ttn n LYS 76 Ca 0.31 -1.38 -0.15 0.00 -2.02 0.00 0.00 58.31 55.07 1ttn n LYS 76 Cb 1.09 0.25 -0.14 0.00 -0.02 0.00 0.00 35.03 36.21 1ttn n LYS 76 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1ttn h MET 77 N 0.64 0.23 0.00 1.97 2.86 -1.91 -3.16 114.93 115.55 1ttn h MET 77 Ca -0.46 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 56.78 1ttn h MET 77 Cb 1.42 0.15 0.00 0.00 0.06 0.00 0.00 31.60 33.23 1ttn h MET 77 CO -0.18 1.14 0.00 1.17 1.06 0.00 0.00 176.91 180.10 1ttn n LYS 78 N -3.47 0.00 0.11 1.72 3.00 -1.26 0.94 118.16 119.19 1ttn n LYS 78 Ca -0.11 0.55 0.08 0.00 -0.00 0.00 0.00 58.31 58.84 1ttn n LYS 78 Cb 1.03 -1.47 0.42 0.00 0.00 0.00 0.00 35.03 35.00 1ttn n LYS 78 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1ttn n PHE 79 N -2.07 0.53 0.06 5.64 7.35 -1.24 -1.64 117.46 126.09 1ttn n PHE 79 Ca 0.00 0.25 0.07 0.00 -0.76 0.00 0.00 57.45 57.01 1ttn n PHE 79 Cb 0.00 -0.91 -0.05 0.00 0.35 0.00 0.00 39.48 38.87 1ttn n PHE 79 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1ttn n GLU 80 N -2.02 0.62 -0.03 -4.13 2.13 -0.66 -4.57 120.64 111.97 1ttn n GLU 80 Ca 0.00 0.11 -0.02 0.00 0.66 0.00 0.00 57.16 57.91 1ttn n GLU 80 Cb 0.08 -1.77 -0.01 0.00 0.27 0.00 0.00 31.44 30.01 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 -2.69 0.20 -1.25 5.31 4.07 0.27 -4.93 120.64 121.61 1ttn n GLU 81 Ca -0.05 0.33 -0.09 0.00 -0.06 0.00 0.00 57.16 57.30 1ttn n GLU 81 Cb 0.66 -1.12 -0.04 0.00 -0.06 0.00 0.00 31.44 30.88 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 -3.29 -0.03 -1.25 4.31 7.99 -0.90 -4.80 117.00 119.04 1ttn n LEU 82 Ca -0.03 0.21 0.09 0.00 -0.01 0.00 0.00 56.01 56.26 1ttn n LEU 82 Cb 0.13 -2.65 0.30 0.00 -0.11 0.00 0.00 43.42 41.09 1ttn n LEU 82 CO 0.05 -1.04 0.76 0.29 -1.51 0.00 0.00 177.39 175.94 1ttn n LYS 83 N -0.39 3.37 -3.55 3.23 4.76 -1.26 -4.84 118.16 119.49 1ttn n LYS 83 Ca -0.09 -2.69 -0.41 0.00 -2.87 0.00 0.00 58.31 52.25 1ttn n LYS 83 Cb 0.58 -1.74 -0.07 0.00 -1.84 0.00 0.00 35.03 31.96 1ttn n LYS 83 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1ttn s ILE 84 N -1.80 4.39 0.06 -0.18 1.10 -1.26 -4.69 121.20 118.82 1ttn s ILE 84 Ca 0.43 -2.33 0.09 0.00 -0.51 0.00 0.00 60.65 58.34 1ttn s ILE 84 Cb 0.28 -3.83 -0.19 0.00 0.15 0.00 0.00 42.46 38.87 1ttn s ILE 84 CO 0.20 -0.87 1.15 1.55 -2.11 0.00 0.00 174.94 174.87 1ttn h PRO 85 N 7.84 0.00 0.00 3.50 0.13 -1.88 -3.42 132.00 138.17 1ttn h PRO 85 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1ttn h PRO 85 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1ttn h PRO 85 CO 0.79 0.84 0.00 1.17 -0.23 0.00 0.00 178.00 180.57 1ttn n LYS 86 N -3.27 0.00 -0.06 0.86 4.81 -1.26 -4.97 118.16 114.27 1ttn n LYS 86 Ca -0.04 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.18 1ttn n LYS 86 Cb 0.94 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.87 1ttn n LYS 86 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1ttn n ASP 87 N 0.00 2.01 -4.54 3.14 5.75 -1.26 -4.85 116.55 116.80 1ttn n ASP 87 Ca 0.00 0.22 -0.50 0.00 -0.01 0.00 0.00 54.79 54.51 1ttn n ASP 87 Cb 0.00 -0.81 -0.04 0.00 -1.03 0.00 0.00 41.12 39.24 1ttn n ASP 87 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1ttn n TYR 88 N -3.79 0.90 -3.76 2.11 4.02 -1.26 -4.82 117.16 110.55 1ttn n TYR 88 Ca -0.37 0.78 -0.14 0.00 -0.01 0.00 0.00 57.90 58.16 1ttn n TYR 88 Cb 0.92 -2.20 -0.14 0.00 -0.02 0.00 0.00 39.34 37.90 1ttn n TYR 88 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1ttn s VAL 89 N -0.40 -0.05 -0.16 -0.72 0.11 -1.26 -2.28 120.40 115.65 1ttn s VAL 89 Ca 0.72 0.17 -0.21 0.00 -2.93 0.00 0.00 61.98 59.74 1ttn s VAL 89 Cb -0.90 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 33.70 1ttn s VAL 89 CO 0.54 0.07 0.62 -0.69 -3.33 0.00 0.00 175.10 172.31 1ttn s VAL 90 N 1.08 5.05 0.34 2.04 1.01 0.21 -4.81 120.40 125.33 1ttn s VAL 90 Ca -0.08 1.20 -0.26 0.00 0.00 0.00 0.00 61.98 62.83 1ttn s VAL 90 Cb -0.11 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 1ttn s VAL 90 CO -0.05 0.18 1.02 -1.58 0.00 0.00 0.00 175.10 174.67 1ttn s GLN 91 N 1.46 4.44 0.25 2.72 -0.44 0.57 -1.93 119.66 126.73 1ttn s GLN 91 Ca 0.30 1.52 0.01 0.00 -2.50 0.00 0.00 55.36 54.69 1ttn s GLN 91 Cb -0.16 -2.81 -0.05 0.00 -1.64 0.00 0.00 33.01 28.35 1ttn s GLN 91 CO 0.12 0.10 0.10 0.14 0.50 0.00 0.00 175.29 176.25 1ttn s VAL 92 N -1.51 0.50 -0.10 1.34 -7.23 -0.82 0.12 120.40 112.70 1ttn s VAL 92 Ca 0.51 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.63 1ttn s VAL 92 Cb -0.23 -2.62 0.05 0.00 0.56 0.00 0.00 36.38 34.13 1ttn s VAL 92 CO 0.30 -0.00 0.24 -0.63 -0.31 0.00 0.00 175.10 174.70 1ttn s ILE 93 N -3.80 -0.04 -0.31 -0.62 1.01 -0.39 -2.96 121.20 114.09 1ttn s ILE 93 Ca 0.38 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.18 1ttn s ILE 93 Cb 0.08 -0.38 0.10 0.00 0.01 0.00 0.00 42.46 42.27 1ttn s ILE 93 CO 0.13 0.06 0.08 0.54 0.00 0.00 0.00 174.94 175.76 1ttn s VAL 94 N 1.27 1.18 -0.82 2.92 0.11 -1.23 -2.04 120.40 121.79 1ttn s VAL 94 Ca -0.09 -1.57 0.00 0.00 -2.93 0.00 0.00 61.98 57.39 1ttn s VAL 94 Cb -0.10 -1.87 0.35 0.00 -1.53 0.00 0.00 36.38 33.22 1ttn s VAL 94 CO -0.08 -0.63 1.65 -0.24 -3.33 0.00 0.00 175.10 172.46 1ttn n SER 95 N 4.72 6.60 -2.70 3.54 2.88 -1.26 -4.60 113.62 122.80 1ttn n SER 95 Ca -0.01 -3.74 -0.07 0.00 -1.33 0.00 0.00 58.87 53.72 1ttn n SER 95 Cb 0.42 -0.94 0.11 0.00 -0.75 0.00 0.00 64.21 63.04 1ttn n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ttn n GLN 96 N -0.30 1.09 0.26 -1.46 -0.00 -1.26 -4.61 117.38 111.10 1ttn n GLN 96 Ca 0.45 -1.76 0.11 0.00 -0.00 0.00 0.00 57.00 55.81 1ttn n GLN 96 Cb 0.33 -0.21 0.68 0.00 -0.00 0.00 0.00 30.24 31.04 1ttn n GLN 96 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1ttn h PRO 97 N 2.12 0.00 0.00 2.61 0.13 -2.01 -3.40 132.00 131.46 1ttn h PRO 97 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1ttn h PRO 97 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ttn h PRO 97 CO -0.04 0.13 0.00 1.55 -0.23 0.00 0.00 178.00 179.41 1ttn n VAL 98 N -3.78 0.00 -3.76 1.56 3.14 -1.26 -5.10 118.33 109.14 1ttn n VAL 98 Ca -0.02 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.21 1ttn n VAL 98 Cb 0.24 -0.20 -0.16 0.00 -1.06 0.00 0.00 33.84 32.66 1ttn n VAL 98 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1ttn s GLN 99 N -1.43 -0.04 0.00 1.45 0.74 -1.26 -5.28 119.66 113.84 1ttn s GLN 99 Ca 0.00 0.23 0.27 0.00 0.05 0.00 0.00 55.36 55.90 1ttn s GLN 99 Cb 0.00 -0.27 0.80 0.00 1.10 0.00 0.00 33.01 34.63 1ttn s GLN 99 CO 0.00 -0.19 1.60 -1.71 -0.55 0.00 0.00 175.29 174.44