#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttn s TYR 22 N 0.00 -0.34 -0.10 1.61 1.51 -1.26 -5.15 117.35 113.62 1ttn s TYR 22 Ca 0.00 0.82 0.01 0.00 -1.01 0.00 0.00 57.07 56.88 1ttn s TYR 22 Cb 0.00 0.11 0.02 0.00 -0.11 0.00 0.00 41.96 41.98 1ttn s TYR 22 CO 0.00 -0.19 -0.09 -2.00 -1.11 0.00 0.00 175.55 172.16 1ttn s GLU 23 N 0.52 1.60 0.02 -0.62 2.56 -1.26 -4.83 118.70 116.69 1ttn s GLU 23 Ca -0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 54.97 54.62 1ttn s GLU 23 Cb -0.05 -1.53 -0.02 0.00 2.00 0.00 0.00 34.13 34.54 1ttn s GLU 23 CO -0.03 -0.16 -0.02 0.00 -0.56 0.00 0.00 175.26 174.49 1ttn s GLN 25 N -1.27 0.24 -0.04 0.00 -0.21 -1.25 0.59 119.66 117.72 1ttn s GLN 25 Ca -0.14 0.74 0.03 0.00 0.02 0.00 0.00 55.36 56.01 1ttn s GLN 25 Cb -0.09 -0.12 -0.03 0.00 1.00 0.00 0.00 33.01 33.77 1ttn s GLN 25 CO -0.01 -0.37 -0.10 -1.17 -2.12 0.00 0.00 175.29 171.51 1ttn s LEU 26 N 2.49 2.97 0.14 2.90 0.20 -0.96 -3.25 118.68 123.18 1ttn s LEU 26 Ca 0.03 -0.14 -0.25 0.00 0.69 0.00 0.00 54.13 54.45 1ttn s LEU 26 Cb -0.13 -1.66 -0.07 0.00 -0.43 0.00 0.00 46.19 43.90 1ttn s LEU 26 CO -0.11 0.33 0.77 -0.13 -0.29 0.00 0.00 176.35 176.92 1ttn s ARG 27 N -0.98 4.55 -0.26 1.98 0.52 -1.00 -1.23 118.95 122.54 1ttn s ARG 27 Ca 0.13 1.14 -0.00 0.00 -0.52 0.00 0.00 55.73 56.48 1ttn s ARG 27 Cb -0.11 -3.28 0.04 0.00 0.52 0.00 0.00 34.95 32.12 1ttn s ARG 27 CO 0.03 0.52 -0.07 -0.51 0.02 0.00 0.00 175.30 175.29 1ttn s LEU 28 N -0.93 3.33 -0.64 2.53 2.01 -0.70 0.29 118.68 124.57 1ttn s LEU 28 Ca 0.36 -1.08 -0.19 0.00 0.01 0.00 0.00 54.13 53.23 1ttn s LEU 28 Cb -0.23 -1.63 0.11 0.00 0.01 0.00 0.00 46.19 44.45 1ttn s LEU 28 CO 0.26 -0.16 0.78 -0.60 1.01 0.00 0.00 176.35 177.63 1ttn s ARG 29 N 1.25 3.13 0.35 1.70 3.52 -0.54 -1.76 118.95 126.60 1ttn s ARG 29 Ca -0.03 -1.36 0.07 0.00 -0.13 0.00 0.00 55.73 54.28 1ttn s ARG 29 Cb -0.18 -4.33 -0.01 0.00 -1.56 0.00 0.00 34.95 28.88 1ttn s ARG 29 CO -0.04 -1.59 0.48 -0.51 -0.81 0.00 0.00 175.30 172.82 1ttn s LEU 30 N 2.74 3.89 0.00 -0.88 1.43 -0.91 0.11 118.68 125.05 1ttn s LEU 30 Ca 0.15 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1ttn s LEU 30 Cb -0.21 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.32 1ttn s LEU 30 CO 0.05 -0.49 0.00 -1.54 0.23 0.00 0.00 176.35 174.59 1ttn n SER 31 N -1.66 0.00 0.00 2.29 3.41 -1.15 0.45 113.62 116.96 1ttn n SER 31 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1ttn n SER 31 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1ttn n SER 31 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ttn n THR 32 N 0.00 0.00 0.00 6.66 -2.24 -1.26 -4.89 114.28 112.55 1ttn n THR 32 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ttn n THR 32 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ttn n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ttn n GLY 33 N 0.00 0.00 3.28 3.38 0.00 0.17 -5.07 105.19 106.96 1ttn n GLY 33 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 3.46 -2.48 1.61 0.00 0.10 -4.77 118.16 116.08 1ttn n LYS 34 Ca 0.00 -3.76 -0.43 0.00 0.00 0.00 0.00 58.31 54.12 1ttn n LYS 34 Cb 0.00 -3.00 -0.02 0.00 0.00 0.00 0.00 35.03 32.01 1ttn n LYS 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1ttn s ASP 35 N 2.19 6.74 -0.18 3.14 -1.08 -1.18 -2.13 116.67 124.16 1ttn s ASP 35 Ca 0.42 1.15 -0.04 0.00 -0.52 0.00 0.00 52.55 53.56 1ttn s ASP 35 Cb 0.01 -2.54 0.09 0.00 -1.46 0.00 0.00 42.92 39.01 1ttn s ASP 35 CO 0.00 -1.03 0.24 -0.22 0.52 0.00 0.00 175.17 174.68 1ttn s LEU 36 N 4.19 -0.21 -0.30 -1.34 0.20 -0.73 -4.90 118.68 115.60 1ttn s LEU 36 Ca 0.53 0.07 -0.24 0.00 0.69 0.00 0.00 54.13 55.19 1ttn s LEU 36 Cb -0.15 0.53 0.00 0.00 -0.43 0.00 0.00 46.19 46.14 1ttn s LEU 36 CO 0.21 -0.30 0.81 -1.59 -0.29 0.00 0.00 176.35 175.20 1ttn s LYS 37 N 2.37 4.01 -0.08 1.98 -2.85 -1.26 -1.72 119.74 122.20 1ttn s LYS 37 Ca 0.06 0.67 -0.14 0.00 -1.00 0.00 0.00 55.97 55.56 1ttn s LYS 37 Cb -0.14 -3.71 -0.05 0.00 -2.06 0.00 0.00 37.83 31.86 1ttn s LYS 37 CO -0.11 -0.66 0.35 -1.17 0.10 0.00 0.00 175.35 173.86 1ttn s LEU 38 N 2.97 4.37 -0.06 2.77 2.96 -0.36 -4.85 118.68 126.48 1ttn s LEU 38 Ca 0.33 0.76 -0.30 0.00 -0.22 0.00 0.00 54.13 54.70 1ttn s LEU 38 Cb -0.14 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 1ttn s LEU 38 CO 0.12 0.23 1.27 0.54 -1.32 0.00 0.00 176.35 177.18 1ttn s VAL 39 N -0.42 4.12 0.26 1.68 0.11 -1.26 -2.25 120.40 122.63 1ttn s VAL 39 Ca 0.21 1.44 0.04 0.00 -2.93 0.00 0.00 61.98 60.74 1ttn s VAL 39 Cb -0.15 -3.93 -0.06 0.00 -1.53 0.00 0.00 36.38 30.72 1ttn s VAL 39 CO 0.09 -0.02 0.01 0.68 -3.33 0.00 0.00 175.10 172.53 1ttn s VAL 40 N 2.48 1.11 -0.33 2.04 -7.23 0.20 -4.96 120.40 113.71 1ttn s VAL 40 Ca 0.58 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 1ttn s VAL 40 Cb -0.26 -2.50 0.16 0.00 0.56 0.00 0.00 36.38 34.34 1ttn s VAL 40 CO 0.22 -0.21 0.44 -0.60 -0.31 0.00 0.00 175.10 174.64 1ttn s ARG 41 N -3.87 0.53 0.00 4.82 3.00 -1.26 -0.68 118.95 121.49 1ttn s ARG 41 Ca 0.32 -0.13 0.00 0.00 -1.00 0.00 0.00 55.73 54.91 1ttn s ARG 41 Cb 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 34.95 34.69 1ttn s ARG 41 CO 0.11 -1.10 0.00 0.43 0.00 0.00 0.00 175.30 174.75 1ttn n SER 42 N 4.97 0.00 0.00 -2.12 7.64 -1.26 -1.59 113.62 121.26 1ttn n SER 42 Ca 0.05 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.05 1ttn n SER 42 Cb 0.50 0.00 0.60 0.00 -1.01 0.00 0.00 64.21 64.30 1ttn n SER 42 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ttn n THR 43 N 0.00 0.22 0.00 0.44 -1.04 -1.26 -4.17 114.28 108.47 1ttn n THR 43 Ca 0.00 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1ttn n THR 43 Cb 0.00 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 1ttn n THR 43 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ttn n ASP 44 N -1.37 0.00 -1.51 8.00 8.00 -0.62 -4.81 116.55 124.23 1ttn n ASP 44 Ca 0.10 0.08 0.11 0.00 0.71 0.00 0.00 54.79 55.78 1ttn n ASP 44 Cb 0.24 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 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 -1.29 -1.71 -0.24 -3.53 -2.24 -1.26 -1.54 114.28 102.48 1ttn n THR 45 Ca 0.00 1.15 0.19 0.00 -2.27 0.00 0.00 64.05 63.11 1ttn n THR 45 Cb 0.00 -1.81 0.30 0.00 -2.10 0.00 0.00 70.33 66.72 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 -3.69 -0.05 0.23 2.28 0.31 -1.24 0.72 118.33 116.90 1ttn n VAL 46 Ca -0.06 0.66 -0.09 0.00 -0.01 0.00 0.00 64.34 64.84 1ttn n VAL 46 Cb 0.60 -1.09 -0.04 0.00 -0.91 0.00 0.00 33.84 32.40 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 -0.56 -0.54 3.52 3.57 -0.34 1.80 116.94 124.39 1ttn h PHE 47 Ca 0.36 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.75 1ttn h PHE 47 Cb 1.33 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.23 1ttn h PHE 47 CO -0.00 -0.35 -0.06 0.45 -2.23 0.00 0.00 178.31 176.12 1ttn h HIS 48 N -0.68 1.08 -0.94 0.41 3.86 0.12 0.39 115.15 119.39 1ttn h HIS 48 Ca -0.06 -0.20 0.20 0.00 -1.16 0.00 0.00 60.37 59.14 1ttn h HIS 48 Cb 0.46 -0.28 -0.08 0.00 1.06 0.00 0.00 27.41 28.58 1ttn h HIS 48 CO 0.10 0.99 0.61 1.98 0.86 0.00 0.00 177.93 182.47 1ttn h MET 49 N 0.89 0.52 -0.10 2.45 1.85 0.35 0.93 114.93 121.82 1ttn h MET 49 Ca 0.15 -0.03 -0.22 0.00 -0.61 0.00 0.00 59.70 58.99 1ttn h MET 49 Cb 0.61 -0.12 0.01 0.00 0.43 0.00 0.00 31.60 32.53 1ttn h MET 49 CO 0.04 0.35 -0.82 0.87 -0.40 0.00 0.00 176.91 176.94 1ttn h LYS 50 N 0.54 0.66 0.27 0.39 1.57 0.42 -0.32 116.57 120.10 1ttn h LYS 50 Ca 0.51 -0.58 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1ttn h LYS 50 Cb 1.07 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1ttn h LYS 50 CO -0.24 1.19 -0.44 0.00 -0.57 0.00 0.00 179.45 179.39 1ttn h ARG 51 N 0.43 -0.73 0.00 3.15 2.47 0.49 -0.45 114.38 119.74 1ttn h ARG 51 Ca -0.06 0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1ttn h ARG 51 Cb 1.45 0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 29.93 1ttn h ARG 51 CO 0.16 -0.48 -0.08 0.00 0.56 0.00 0.00 179.97 180.13 1ttn h ARG 52 N -0.75 0.00 0.93 0.04 -0.00 -0.38 -2.68 114.38 111.53 1ttn h ARG 52 Ca -0.03 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.40 1ttn h ARG 52 Cb 0.70 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.68 1ttn h ARG 52 CO -0.15 0.08 -0.44 -0.07 0.00 0.00 0.00 179.97 179.38 1ttn h LEU 53 N 0.00 -1.05 -1.23 3.04 -0.00 0.39 1.48 115.31 117.94 1ttn h LEU 53 Ca -0.00 0.03 0.20 0.00 -0.00 0.00 0.00 57.88 58.12 1ttn h LEU 53 Cb 0.32 0.27 -0.09 0.00 -0.00 0.00 0.00 40.66 41.16 1ttn h LEU 53 CO 0.01 -0.72 0.62 -0.74 -0.00 0.00 0.00 178.44 177.61 1ttn h HIS 54 N -1.31 0.84 -0.01 1.13 2.76 -0.88 1.14 115.15 118.82 1ttn h HIS 54 Ca -0.13 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 57.93 1ttn h HIS 54 Cb 0.96 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.64 1ttn h HIS 54 CO -0.00 0.19 -0.66 0.00 -1.30 0.00 0.00 177.93 176.16 1ttn h ALA 55 N 1.63 0.90 0.00 5.26 0.00 -1.10 -1.05 119.26 124.90 1ttn h ALA 55 Ca 0.54 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1ttn h ALA 55 Cb 1.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1ttn h ALA 55 CO -0.29 0.81 -0.89 0.00 0.00 0.00 0.00 179.25 178.88 1ttn h ALA 56 N 1.32 0.14 0.07 0.00 0.00 0.57 -3.43 119.26 117.93 1ttn h ALA 56 Ca -0.01 -0.87 -0.30 0.00 0.00 0.00 0.00 54.91 53.73 1ttn h ALA 56 Cb 1.17 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1ttn h ALA 56 CO 0.09 0.59 -1.64 0.93 0.00 0.00 0.00 179.25 179.22 1ttn h GLU 57 N -1.00 0.14 0.00 0.00 4.39 0.97 -3.49 114.58 115.59 1ttn h GLU 57 Ca -0.19 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1ttn h GLU 57 Cb 0.93 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1ttn h GLU 57 CO -0.11 1.12 0.00 0.41 -1.16 0.00 0.00 179.01 179.26 1ttn n GLY 58 N 1.72 1.11 3.51 -3.84 0.00 -0.40 -5.01 105.19 102.29 1ttn n GLY 58 Ca -0.32 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1ttn n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttn s VAL 59 N -1.91 4.66 0.87 1.61 0.11 -1.25 -4.87 120.40 119.61 1ttn s VAL 59 Ca 0.00 0.15 -0.11 0.00 -2.93 0.00 0.00 61.98 59.09 1ttn s VAL 59 Cb 0.00 -4.35 0.11 0.00 -1.53 0.00 0.00 36.38 30.61 1ttn s VAL 59 CO 0.00 -0.81 1.09 -1.61 -3.33 0.00 0.00 175.10 170.44 1ttn s GLU 60 N 3.24 1.50 0.19 1.54 2.02 -1.26 -2.58 118.70 123.34 1ttn s GLU 60 Ca 0.26 0.99 -0.26 0.00 0.02 0.00 0.00 54.97 55.98 1ttn s GLU 60 Cb -0.14 -1.82 0.06 0.00 0.10 0.00 0.00 34.13 32.32 1ttn s GLU 60 CO 0.19 -2.12 1.55 -1.35 0.02 0.00 0.00 175.26 173.54 1ttn h PRO 61 N -1.47 -0.01 -0.75 0.39 0.11 -1.91 0.64 132.00 129.00 1ttn h PRO 61 Ca -0.47 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.74 1ttn h PRO 61 Cb 1.27 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.30 1ttn h PRO 61 CO 0.52 -0.00 0.38 0.78 -0.21 0.00 0.00 178.00 179.47 1ttn h GLY 62 N -0.01 1.15 1.06 -0.55 0.00 -1.98 0.22 103.07 102.96 1ttn h GLY 62 Ca 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ttn h GLY 62 CO -0.95 0.04 -0.01 -1.14 0.00 0.00 0.00 176.54 174.47 1ttn n SER 63 N -4.86 0.16 -4.36 0.19 3.41 0.61 -4.49 113.62 104.27 1ttn n SER 63 Ca 0.13 -0.73 -0.45 0.00 -0.26 0.00 0.00 58.87 57.56 1ttn n SER 63 Cb 0.31 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.00 3.52 -3.11 4.33 6.02 0.19 -3.43 117.38 123.90 1ttn n GLN 64 Ca 0.20 -4.27 -0.44 0.00 -0.01 0.00 0.00 57.00 52.48 1ttn n GLN 64 Cb 0.19 -2.70 -0.06 0.00 1.02 0.00 0.00 30.24 28.69 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 -0.45 3.14 0.18 -1.09 0.52 -0.90 -4.92 118.95 115.43 1ttn s ARG 65 Ca 0.35 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 54.40 1ttn s ARG 65 Cb -0.07 -4.11 -0.08 0.00 0.52 0.00 0.00 34.95 31.21 1ttn s ARG 65 CO -0.05 -1.30 0.95 -1.58 0.02 0.00 0.00 175.30 173.34 1ttn s TRP 66 N 2.83 3.91 -0.19 -0.53 0.23 -1.26 -1.10 118.94 122.83 1ttn s TRP 66 Ca 0.17 1.87 -0.07 0.00 -2.03 0.00 0.00 56.10 56.03 1ttn s TRP 66 Cb -0.19 -3.01 0.08 0.00 0.03 0.00 0.00 33.47 30.38 1ttn s TRP 66 CO 0.12 0.35 0.41 -0.06 0.96 0.00 0.00 176.95 178.73 1ttn s PHE 67 N -0.67 -0.74 -0.16 -1.98 0.08 0.39 -2.03 117.98 112.87 1ttn s PHE 67 Ca 0.44 1.45 0.02 0.00 0.12 0.00 0.00 56.93 58.95 1ttn s PHE 67 Cb -0.25 0.28 0.02 0.00 -0.57 0.00 0.00 43.02 42.50 1ttn s PHE 67 CO 0.31 -0.45 -0.21 0.12 -0.10 0.00 0.00 175.22 174.90 1ttn s PHE 68 N 2.33 2.69 -0.01 0.36 2.19 0.14 0.16 117.98 125.84 1ttn s PHE 68 Ca -0.03 -1.48 0.00 0.00 0.33 0.00 0.00 56.93 55.74 1ttn s PHE 68 Cb -0.11 -1.85 0.00 0.00 -1.31 0.00 0.00 43.02 39.75 1ttn s PHE 68 CO -0.13 -0.71 0.00 0.45 1.83 0.00 0.00 175.22 176.67 1ttn n SER 69 N 4.36 -5.30 0.00 6.13 2.88 -1.26 -1.75 113.62 118.67 1ttn n SER 69 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1ttn n SER 69 Cb 0.51 -2.81 0.00 0.00 -0.75 0.00 0.00 64.21 61.15 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 0.07 1.14 3.18 0.46 0.00 -1.26 -5.10 105.19 103.67 1ttn n GLY 70 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.55 1.21 -0.08 1.61 1.81 -0.72 -5.10 118.95 117.13 1ttn s ARG 71 Ca 0.00 -0.78 -0.30 0.00 -1.72 0.00 0.00 55.73 52.94 1ttn s ARG 71 Cb 0.00 -1.25 -0.04 0.00 -0.45 0.00 0.00 34.95 33.21 1ttn s ARG 71 CO 0.00 0.32 1.53 -1.25 -0.68 0.00 0.00 175.30 175.22 1ttn s PRO 72 N -0.94 4.20 0.29 3.54 0.04 -1.26 0.26 135.00 141.14 1ttn s PRO 72 Ca 0.05 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 1ttn s PRO 72 Cb -0.08 -3.89 -0.08 0.00 0.04 0.00 0.00 34.50 30.49 1ttn s PRO 72 CO 0.01 -0.79 0.65 -0.51 0.04 0.00 0.00 177.00 176.40 1ttn s LEU 73 N 3.75 4.07 0.93 -3.56 1.02 -0.86 -4.90 118.68 119.13 1ttn s LEU 73 Ca 0.68 1.08 -0.15 0.00 0.02 0.00 0.00 54.13 55.75 1ttn s LEU 73 Cb -0.30 -3.87 0.18 0.00 0.02 0.00 0.00 46.19 42.21 1ttn s LEU 73 CO 0.25 -0.18 1.29 0.42 0.02 0.00 0.00 176.35 178.16 1ttn s THR 74 N -1.97 2.00 -2.03 5.49 -4.23 -1.26 -4.68 115.64 108.97 1ttn s THR 74 Ca 0.50 -0.01 0.13 0.00 -1.18 0.00 0.00 61.69 61.13 1ttn s THR 74 Cb -0.11 -2.99 0.36 0.00 1.34 0.00 0.00 72.50 71.10 1ttn s THR 74 CO 0.22 0.00 1.31 -0.90 -0.54 0.00 0.00 174.62 174.71 1ttn n ASP 75 N -3.66 2.10 -2.65 3.99 5.68 -1.26 -3.92 116.55 116.82 1ttn n ASP 75 Ca 0.14 -1.98 -0.09 0.00 -0.50 0.00 0.00 54.79 52.36 1ttn n ASP 75 Cb 0.60 -0.25 0.03 0.00 -1.14 0.00 0.00 41.12 40.36 1ttn n ASP 75 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1ttn n LYS 76 N 0.64 1.81 0.04 0.11 5.02 -1.26 0.22 118.16 124.74 1ttn n LYS 76 Ca 0.14 -3.56 0.01 0.00 -2.02 0.00 0.00 58.31 52.88 1ttn n LYS 76 Cb 0.34 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 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 -0.35 0.62 0.00 1.97 2.81 -1.25 -3.97 117.12 116.94 1ttn n MET 77 Ca 0.15 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 1ttn n MET 77 Cb 0.81 -1.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1ttn n MET 77 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ttn n LYS 78 N -2.88 0.00 0.00 0.03 3.00 -1.26 -0.93 118.16 116.12 1ttn n LYS 78 Ca -0.09 0.55 0.03 0.00 -0.00 0.00 0.00 58.31 58.80 1ttn n LYS 78 Cb 0.82 -1.48 0.12 0.00 0.00 0.00 0.00 35.03 34.48 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 -2.08 0.00 0.01 5.64 7.35 -1.26 -1.92 117.46 125.20 1ttn n PHE 79 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 1ttn n PHE 79 Cb 0.00 -0.46 -0.13 0.00 0.35 0.00 0.00 39.48 39.24 1ttn n PHE 79 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1ttn h GLU 80 N 0.00 0.05 0.00 -4.13 4.57 -1.44 -3.39 114.58 110.24 1ttn h GLU 80 Ca 0.00 -0.08 -0.19 0.00 -1.18 0.00 0.00 59.36 57.91 1ttn h GLU 80 Cb 0.08 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1ttn h GLU 80 CO 0.00 0.75 -1.23 -1.91 -1.18 0.00 0.00 179.01 175.44 1ttn n GLU 81 N -3.21 0.54 0.00 1.92 4.07 -0.11 -4.96 120.64 118.90 1ttn n GLU 81 Ca -0.13 0.49 0.00 0.00 -0.06 0.00 0.00 57.16 57.47 1ttn n GLU 81 Cb 1.02 -1.67 0.00 0.00 -0.06 0.00 0.00 31.44 30.73 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 -4.46 0.00 -0.86 4.31 7.99 -0.81 -4.51 117.00 118.66 1ttn n LEU 82 Ca -0.28 0.00 0.11 0.00 -0.01 0.00 0.00 56.01 55.83 1ttn n LEU 82 Cb 0.59 0.00 0.28 0.00 -0.11 0.00 0.00 43.42 44.18 1ttn n LEU 82 CO 0.14 0.00 0.73 2.29 -1.51 0.00 0.00 177.39 179.04 1ttn n LYS 83 N 0.00 2.13 0.12 3.23 2.85 -1.26 -4.08 118.16 121.15 1ttn n LYS 83 Ca 0.00 -1.71 0.05 0.00 -1.05 0.00 0.00 58.31 55.61 1ttn n LYS 83 Cb 0.00 -1.45 0.02 0.00 -0.65 0.00 0.00 35.03 32.95 1ttn n LYS 83 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 177.40 178.32 1ttn h ILE 84 N 3.34 0.42 -0.57 0.58 2.10 -1.88 -3.38 117.51 118.11 1ttn h ILE 84 Ca 0.00 -1.67 -0.35 0.00 1.08 0.00 0.00 64.86 63.92 1ttn h ILE 84 Cb 0.74 2.04 -0.13 0.00 -1.09 0.00 0.00 36.82 38.38 1ttn h ILE 84 CO 0.00 0.24 0.05 -0.81 -1.08 0.00 0.00 178.15 176.55 1ttn n PRO 85 N -2.99 2.18 0.00 2.19 -0.04 -1.26 -3.32 135.00 131.76 1ttn n PRO 85 Ca -0.01 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 1ttn n PRO 85 Cb 0.69 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 1.56 0.00 -0.21 0.54 5.02 -1.20 -3.94 118.16 119.93 1ttn n LYS 86 Ca 0.45 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.80 1ttn n LYS 86 Cb 0.71 0.00 0.16 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 -0.52 0.00 0.00 177.40 176.48 1ttn n ASP 87 N -1.03 2.97 -4.85 4.39 5.75 -1.26 -4.92 116.55 117.60 1ttn n ASP 87 Ca 0.00 -2.48 -0.32 0.00 -0.01 0.00 0.00 54.79 51.98 1ttn n ASP 87 Cb 0.00 -0.32 -0.06 0.00 -1.03 0.00 0.00 41.12 39.72 1ttn n ASP 87 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1ttn s TYR 88 N -1.86 3.39 -0.03 2.11 1.51 -1.21 -5.05 117.35 116.21 1ttn s TYR 88 Ca 0.26 0.22 0.00 0.00 -1.01 0.00 0.00 57.07 56.55 1ttn s TYR 88 Cb 0.19 -1.74 0.03 0.00 -0.11 0.00 0.00 41.96 40.33 1ttn s TYR 88 CO 0.09 0.58 -0.00 0.54 -1.11 0.00 0.00 175.55 175.64 1ttn s VAL 89 N -1.35 0.18 -0.32 0.71 0.11 -1.26 -2.36 120.40 116.10 1ttn s VAL 89 Ca 0.29 0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 59.24 1ttn s VAL 89 Cb -0.12 -0.27 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 1ttn s VAL 89 CO 0.21 0.14 0.48 -0.69 -3.33 0.00 0.00 175.10 171.91 1ttn s VAL 90 N 0.97 5.06 -0.28 2.04 1.01 0.15 -4.75 120.40 124.59 1ttn s VAL 90 Ca -0.10 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 1ttn s VAL 90 Cb -0.13 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1ttn s VAL 90 CO -0.02 -0.10 1.04 -1.58 0.00 0.00 0.00 175.10 174.45 1ttn s GLN 91 N 2.31 4.14 0.41 2.72 -0.44 0.43 -1.47 119.66 127.76 1ttn s GLN 91 Ca 0.18 1.15 0.08 0.00 -2.50 0.00 0.00 55.36 54.27 1ttn s GLN 91 Cb -0.16 -3.70 -0.02 0.00 -1.64 0.00 0.00 33.01 27.50 1ttn s GLN 91 CO 0.12 -0.78 0.38 0.14 0.50 0.00 0.00 175.29 175.66 1ttn s VAL 92 N 3.42 2.74 -0.20 1.34 -7.23 0.29 0.15 120.40 120.91 1ttn s VAL 92 Ca 0.44 -1.33 -0.16 0.00 -1.81 0.00 0.00 61.98 59.12 1ttn s VAL 92 Cb -0.13 -3.01 0.06 0.00 0.56 0.00 0.00 36.38 33.85 1ttn s VAL 92 CO 0.11 -0.01 0.53 0.27 -0.31 0.00 0.00 175.10 175.69 1ttn s ILE 93 N -2.45 -0.01 -0.38 -0.62 -4.36 -0.26 -2.92 121.20 110.20 1ttn s ILE 93 Ca 0.48 0.02 0.03 0.00 -0.26 0.00 0.00 60.65 60.92 1ttn s ILE 93 Cb -0.04 -0.75 0.11 0.00 1.25 0.00 0.00 42.46 43.04 1ttn s ILE 93 CO 0.28 0.01 0.12 0.54 0.24 0.00 0.00 174.94 176.13 1ttn s VAL 94 N 0.70 1.99 -0.29 8.37 0.11 -1.22 -2.12 120.40 127.94 1ttn s VAL 94 Ca -0.03 -2.40 0.09 0.00 -2.93 0.00 0.00 61.98 56.70 1ttn s VAL 94 Cb -0.05 -2.45 0.48 0.00 -1.53 0.00 0.00 36.38 32.84 1ttn s VAL 94 CO -0.05 -0.69 1.41 -1.20 -3.33 0.00 0.00 175.10 171.24 1ttn n SER 95 N 4.04 2.60 -3.10 3.54 7.64 -1.26 -4.74 113.62 122.33 1ttn n SER 95 Ca 0.04 -3.82 -0.19 0.00 1.01 0.00 0.00 58.87 55.91 1ttn n SER 95 Cb 0.39 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.09 0.85 0.21 1.43 10.64 -1.26 -4.91 117.38 123.24 1ttn n GLN 96 Ca 0.32 -3.02 0.06 0.00 -1.83 0.00 0.00 57.00 52.53 1ttn n GLN 96 Cb 0.95 -1.41 0.44 0.00 -0.86 0.00 0.00 30.24 29.36 1ttn n GLN 96 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 1ttn h PRO 97 N 3.52 0.00 0.00 2.61 0.13 -1.99 -3.41 132.00 132.86 1ttn h PRO 97 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1ttn h PRO 97 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1ttn h PRO 97 CO 0.43 0.31 -0.01 0.28 -0.23 0.00 0.00 178.00 178.79 1ttn n VAL 98 N -3.76 0.00 -4.26 1.56 0.31 -1.26 -5.09 118.33 105.83 1ttn n VAL 98 Ca -0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.97 1ttn n VAL 98 Cb 0.41 -0.37 -0.09 0.00 -0.91 0.00 0.00 33.84 32.87 1ttn n VAL 98 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1ttn s GLN 99 N -1.72 3.28 0.00 5.55 -1.52 -1.26 -5.23 119.66 118.75 1ttn s GLN 99 Ca 0.00 -0.38 0.22 0.00 -1.95 0.00 0.00 55.36 53.25 1ttn s GLN 99 Cb 0.00 -2.92 1.29 0.00 -0.22 0.00 0.00 33.01 31.15 1ttn s GLN 99 CO 0.00 0.59 1.66 -1.71 -0.25 0.00 0.00 175.29 175.58