#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 3.29 0.01 1.61 1.13 -1.26 -4.89 117.35 117.24 1ttn s TYR 22 Ca 0.00 1.22 0.00 0.00 -1.41 0.00 0.00 57.07 56.88 1ttn s TYR 22 Cb 0.00 -3.23 0.00 0.00 -1.10 0.00 0.00 41.96 37.63 1ttn s TYR 22 CO 0.00 -0.50 0.00 0.39 -2.51 0.00 0.00 175.55 172.93 1ttn n GLU 23 N 6.26 -0.08 -2.74 -3.49 1.02 -1.26 -4.69 120.64 115.66 1ttn n GLU 23 Ca 0.08 0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.87 1ttn n GLU 23 Cb 0.47 -0.09 -0.05 0.00 -0.02 0.00 0.00 31.44 31.75 1ttn n GLU 23 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ttn s GLN 25 N -0.39 0.67 -0.02 0.00 -1.52 -1.26 -0.21 119.66 116.92 1ttn s GLN 25 Ca 0.45 -0.16 0.07 0.00 -1.95 0.00 0.00 55.36 53.77 1ttn s GLN 25 Cb -0.24 -1.55 -0.02 0.00 -0.22 0.00 0.00 33.01 30.98 1ttn s GLN 25 CO 0.31 -0.46 -0.23 -1.17 -0.25 0.00 0.00 175.29 173.48 1ttn s LEU 26 N 1.91 2.21 -0.06 2.90 0.20 -0.98 -1.42 118.68 123.43 1ttn s LEU 26 Ca 0.02 -0.42 -0.19 0.00 0.69 0.00 0.00 54.13 54.23 1ttn s LEU 26 Cb -0.15 -1.38 -0.05 0.00 -0.43 0.00 0.00 46.19 44.18 1ttn s LEU 26 CO -0.07 0.32 0.52 -0.13 -0.29 0.00 0.00 176.35 176.70 1ttn s ARG 27 N -0.70 4.29 -0.27 1.98 0.52 -0.98 -1.44 118.95 122.35 1ttn s ARG 27 Ca 0.11 0.56 -0.02 0.00 -0.52 0.00 0.00 55.73 55.85 1ttn s ARG 27 Cb -0.10 -3.38 0.03 0.00 0.52 0.00 0.00 34.95 32.02 1ttn s ARG 27 CO -0.00 0.28 -0.02 -0.51 0.02 0.00 0.00 175.30 175.07 1ttn s LEU 28 N 0.17 3.52 -0.61 2.53 2.01 -0.87 0.16 118.68 125.59 1ttn s LEU 28 Ca 0.28 -0.98 -0.21 0.00 0.01 0.00 0.00 54.13 53.23 1ttn s LEU 28 Cb -0.16 -1.71 0.08 0.00 0.01 0.00 0.00 46.19 44.40 1ttn s LEU 28 CO 0.13 -0.18 0.83 -0.60 1.01 0.00 0.00 176.35 177.54 1ttn s ARG 29 N 1.33 3.11 0.19 1.70 3.52 -0.11 -1.80 118.95 126.89 1ttn s ARG 29 Ca -0.01 -0.96 0.03 0.00 -0.13 0.00 0.00 55.73 54.67 1ttn s ARG 29 Cb -0.18 -4.21 -0.03 0.00 -1.56 0.00 0.00 34.95 28.97 1ttn s ARG 29 CO -0.02 -1.62 0.32 -0.51 -0.81 0.00 0.00 175.30 172.66 1ttn s LEU 30 N 3.42 4.32 0.00 -0.88 1.43 -0.86 0.95 118.68 127.07 1ttn s LEU 30 Ca 0.18 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1ttn s LEU 30 Cb -0.19 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.13 1ttn s LEU 30 CO 0.10 -0.01 0.00 -1.54 0.23 0.00 0.00 176.35 175.13 1ttn n SER 31 N -0.94 0.00 0.00 2.29 3.41 -0.99 -0.15 113.62 117.24 1ttn n SER 31 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1ttn n SER 31 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1ttn n SER 31 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ttn n THR 32 N 0.00 0.00 -1.72 6.66 5.66 -1.26 -4.89 114.28 118.73 1ttn n THR 32 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ttn n THR 32 Cb 0.00 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.00 -0.53 2.95 1.09 0.00 0.29 -5.04 105.19 103.96 1ttn n GLY 33 Ca 0.00 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.02 4.36 -2.48 1.61 3.00 0.78 -4.79 118.16 120.62 1ttn n LYS 34 Ca -0.01 -4.34 -0.43 0.00 -0.00 0.00 0.00 58.31 53.53 1ttn n LYS 34 Cb 0.32 -2.59 -0.02 0.00 0.00 0.00 0.00 35.03 32.74 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 -1.24 6.72 -0.13 3.14 -4.77 -1.13 -2.02 116.67 117.24 1ttn s ASP 35 Ca 0.33 1.10 -0.03 0.00 -3.30 0.00 0.00 52.55 50.65 1ttn s ASP 35 Cb 0.07 -2.54 0.05 0.00 -1.09 0.00 0.00 42.92 39.40 1ttn s ASP 35 CO 0.08 -1.06 0.04 -0.22 0.70 0.00 0.00 175.17 174.71 1ttn s LEU 36 N 4.24 0.63 -0.53 2.11 2.96 -0.74 -4.87 118.68 122.49 1ttn s LEU 36 Ca 0.53 -0.40 -0.28 0.00 -0.22 0.00 0.00 54.13 53.77 1ttn s LEU 36 Cb -0.15 -0.39 0.03 0.00 0.50 0.00 0.00 46.19 46.18 1ttn s LEU 36 CO 0.22 -0.27 1.12 -1.59 -1.32 0.00 0.00 176.35 174.51 1ttn s LYS 37 N 2.01 3.58 0.21 1.98 -2.85 -1.26 -2.06 119.74 121.36 1ttn s LYS 37 Ca 0.03 0.31 -0.05 0.00 -1.00 0.00 0.00 55.97 55.25 1ttn s LYS 37 Cb -0.14 -3.97 -0.06 0.00 -2.06 0.00 0.00 37.83 31.60 1ttn s LYS 37 CO -0.07 -1.50 0.47 -1.17 0.10 0.00 0.00 175.35 173.19 1ttn s LEU 38 N 4.54 4.18 0.33 2.77 2.96 -0.52 -4.84 118.68 128.09 1ttn s LEU 38 Ca 0.43 0.68 -0.22 0.00 -0.22 0.00 0.00 54.13 54.80 1ttn s LEU 38 Cb -0.08 -3.45 -0.10 0.00 0.50 0.00 0.00 46.19 43.06 1ttn s LEU 38 CO 0.27 -0.06 0.88 -0.69 -1.32 0.00 0.00 176.35 175.43 1ttn s VAL 39 N -1.85 4.37 0.24 1.68 1.01 -1.26 -2.33 120.40 122.27 1ttn s VAL 39 Ca 0.43 1.55 -0.14 0.00 0.00 0.00 0.00 61.98 63.82 1ttn s VAL 39 Cb -0.11 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1ttn s VAL 39 CO 0.26 0.01 0.51 0.68 0.00 0.00 0.00 175.10 176.56 1ttn s VAL 40 N -1.77 0.01 -0.34 2.92 -7.23 0.70 -4.87 120.40 109.82 1ttn s VAL 40 Ca 0.52 -1.26 0.06 0.00 -1.81 0.00 0.00 61.98 59.49 1ttn s VAL 40 Cb -0.15 -2.07 0.18 0.00 0.56 0.00 0.00 36.38 34.90 1ttn s VAL 40 CO 0.20 -0.03 0.56 -0.60 -0.31 0.00 0.00 175.10 174.92 1ttn s ARG 41 N -3.98 0.64 0.00 4.82 3.00 -1.26 -1.35 118.95 120.81 1ttn s ARG 41 Ca 0.19 0.09 0.00 0.00 -1.00 0.00 0.00 55.73 55.00 1ttn s ARG 41 Cb -0.01 0.04 0.00 0.00 0.00 0.00 0.00 34.95 34.98 1ttn s ARG 41 CO 0.07 -1.11 0.00 -1.13 0.00 0.00 0.00 175.30 173.13 1ttn n SER 42 N 4.96 0.00 -0.18 -2.12 3.41 -1.26 -1.90 113.62 116.53 1ttn n SER 42 Ca 0.07 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.80 1ttn n SER 42 Cb 0.54 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.67 1ttn n SER 42 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ttn n THR 43 N 0.00 0.00 -0.72 6.66 -2.24 -1.26 -3.90 114.28 112.82 1ttn n THR 43 Ca 0.00 -0.09 -0.14 0.00 -2.27 0.00 0.00 64.05 61.54 1ttn n THR 43 Cb 0.00 0.63 0.18 0.00 -2.10 0.00 0.00 70.33 69.03 1ttn n THR 43 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ttn n ASP 44 N -0.92 3.84 -3.87 3.42 2.03 -0.80 -4.67 116.55 115.58 1ttn n ASP 44 Ca 0.08 -3.17 -0.24 0.00 0.52 0.00 0.00 54.79 51.98 1ttn n ASP 44 Cb 0.36 -0.75 0.13 0.00 -0.72 0.00 0.00 41.12 40.15 1ttn n ASP 44 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ttn n THR 45 N -0.55 0.00 -0.39 5.18 -2.24 -1.26 -1.60 114.28 113.42 1ttn n THR 45 Ca 0.43 -0.11 0.30 0.00 -2.27 0.00 0.00 64.05 62.40 1ttn n THR 45 Cb 1.35 -0.44 0.47 0.00 -2.10 0.00 0.00 70.33 69.61 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 -4.24 0.00 0.06 2.28 0.31 -1.25 0.11 118.33 115.61 1ttn n VAL 46 Ca 0.03 0.88 -0.13 0.00 -0.01 0.00 0.00 64.34 65.11 1ttn n VAL 46 Cb 0.47 -1.48 -0.09 0.00 -0.91 0.00 0.00 33.84 31.83 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 -0.13 0.19 3.52 3.57 -1.81 0.59 116.94 122.86 1ttn h PHE 47 Ca 0.54 -0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.72 1ttn h PHE 47 Cb 2.23 0.04 0.03 0.00 2.79 0.00 0.00 35.95 41.04 1ttn h PHE 47 CO 0.00 0.17 -1.36 0.45 -2.23 0.00 0.00 178.31 175.35 1ttn h HIS 48 N -0.45 0.93 -0.79 0.41 3.86 0.70 -0.99 115.15 118.82 1ttn h HIS 48 Ca -0.01 -0.64 0.18 0.00 -1.16 0.00 0.00 60.37 58.74 1ttn h HIS 48 Cb 0.37 -0.05 -0.12 0.00 1.06 0.00 0.00 27.41 28.67 1ttn h HIS 48 CO 0.02 1.49 0.21 1.98 0.86 0.00 0.00 177.93 182.49 1ttn h MET 49 N 0.19 0.26 -0.00 2.45 -1.53 0.11 0.92 114.93 117.32 1ttn h MET 49 Ca -0.21 -0.02 -0.17 0.00 -3.44 0.00 0.00 59.70 55.86 1ttn h MET 49 Cb 2.04 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 33.01 1ttn h MET 49 CO 0.25 0.17 -0.80 1.57 0.14 0.00 0.00 176.91 178.24 1ttn h LYS 50 N 0.27 0.05 0.31 0.39 2.10 0.19 -1.19 116.57 118.69 1ttn h LYS 50 Ca 0.47 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 59.05 1ttn h LYS 50 Cb 0.84 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.18 1ttn h LYS 50 CO -0.55 0.83 -0.23 -0.09 -2.00 0.00 0.00 179.45 177.41 1ttn h ARG 51 N 0.03 -0.50 0.00 0.07 2.43 0.20 -1.87 114.38 114.74 1ttn h ARG 51 Ca -0.02 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ttn h ARG 51 Cb 1.41 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 31.07 1ttn h ARG 51 CO 0.11 -0.33 -0.02 0.00 -1.51 0.00 0.00 179.97 178.22 1ttn h ARG 52 N -0.51 0.00 -0.16 0.20 3.08 -0.16 -2.12 114.38 114.71 1ttn h ARG 52 Ca -0.04 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.06 1ttn h ARG 52 Cb 0.42 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.41 1ttn h ARG 52 CO 0.02 0.02 -0.23 -0.07 -1.07 0.00 0.00 179.97 178.64 1ttn h LEU 53 N 0.00 -0.70 -0.98 3.04 -0.00 -0.54 0.47 115.31 116.60 1ttn h LEU 53 Ca -0.00 0.12 0.02 0.00 -0.00 0.00 0.00 57.88 58.02 1ttn h LEU 53 Cb 0.04 0.32 -0.05 0.00 -0.00 0.00 0.00 40.66 40.97 1ttn h LEU 53 CO 0.00 -0.27 0.65 -0.74 -0.00 0.00 0.00 178.44 178.08 1ttn h HIS 54 N -0.27 1.22 -0.71 1.13 2.76 -0.69 1.23 115.15 119.82 1ttn h HIS 54 Ca 0.11 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 1ttn h HIS 54 Cb 0.44 -0.41 -0.05 0.00 1.55 0.00 0.00 27.41 28.93 1ttn h HIS 54 CO -0.34 0.74 0.41 0.00 -1.30 0.00 0.00 177.93 177.44 1ttn h ALA 55 N 1.38 0.95 0.11 5.26 0.00 -0.61 0.39 119.26 126.74 1ttn h ALA 55 Ca 0.37 0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.98 1ttn h ALA 55 Cb -0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ttn h ALA 55 CO -0.10 0.11 -1.64 0.00 0.00 0.00 0.00 179.25 177.62 1ttn h ALA 56 N 1.35 0.27 0.00 0.00 0.00 0.39 -3.43 119.26 117.85 1ttn h ALA 56 Ca 0.31 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1ttn h ALA 56 Cb 0.17 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ttn h ALA 56 CO -0.17 1.01 -0.21 0.39 0.00 0.00 0.00 179.25 180.27 1ttn n GLU 57 N -3.79 0.19 0.00 0.00 -0.58 0.42 -5.04 120.64 111.83 1ttn n GLU 57 Ca -0.28 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1ttn n GLU 57 Cb 0.95 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 30.68 1ttn n GLU 57 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ttn n GLY 58 N 1.70 0.24 3.58 0.62 0.00 0.14 -4.97 105.19 106.50 1ttn n GLY 58 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.26 4.87 0.81 1.61 1.01 -1.26 -4.86 120.40 122.32 1ttn s VAL 59 Ca 0.00 0.74 -0.12 0.00 0.00 0.00 0.00 61.98 62.60 1ttn s VAL 59 Cb 0.00 -4.09 0.08 0.00 0.00 0.00 0.00 36.38 32.37 1ttn s VAL 59 CO 0.00 -0.29 1.15 -1.61 0.00 0.00 0.00 175.10 174.35 1ttn s GLU 60 N 2.77 1.96 0.25 2.72 2.02 -1.26 -2.92 118.70 124.25 1ttn s GLU 60 Ca 0.26 0.23 -0.10 0.00 0.02 0.00 0.00 54.97 55.38 1ttn s GLU 60 Cb -0.14 -1.94 0.37 0.00 0.10 0.00 0.00 34.13 32.52 1ttn s GLU 60 CO 0.14 -1.62 1.46 -2.30 0.02 0.00 0.00 175.26 172.97 1ttn n PRO 61 N -3.36 -0.13 0.05 0.39 -0.01 -1.26 0.15 135.00 130.84 1ttn n PRO 61 Ca 0.07 1.46 0.10 0.00 -0.01 0.00 0.00 63.50 65.13 1ttn n PRO 61 Cb 0.60 -2.18 0.42 0.00 -0.01 0.00 0.00 33.50 32.33 1ttn n PRO 61 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1ttn n GLY 62 N -1.55 -1.23 0.12 -1.23 0.00 -1.26 -3.26 105.19 96.78 1ttn n GLY 62 Ca 0.13 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1ttn n GLY 62 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ttn n SER 63 N -1.79 1.54 -4.37 1.61 7.64 0.41 -4.74 113.62 113.92 1ttn n SER 63 Ca 0.04 -0.10 -0.45 0.00 1.01 0.00 0.00 58.87 59.37 1ttn n SER 63 Cb 0.24 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.41 1ttn n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ttn s GLN 64 N -2.49 3.91 -0.35 1.43 1.03 0.18 -2.66 119.66 120.70 1ttn s GLN 64 Ca -0.27 -2.69 -0.28 0.00 0.04 0.00 0.00 55.36 52.15 1ttn s GLN 64 Cb 0.08 -4.63 -0.01 0.00 0.03 0.00 0.00 33.01 28.48 1ttn s GLN 64 CO 0.64 -1.40 1.72 1.03 -2.54 0.00 0.00 175.29 174.74 1ttn s ARG 65 N 0.10 3.38 0.08 9.60 0.52 -0.93 -4.73 118.95 126.96 1ttn s ARG 65 Ca 0.28 1.32 -0.31 0.00 -0.52 0.00 0.00 55.73 56.51 1ttn s ARG 65 Cb -0.08 -4.16 -0.07 0.00 0.52 0.00 0.00 34.95 31.15 1ttn s ARG 65 CO -0.07 -1.80 1.41 1.67 0.02 0.00 0.00 175.30 176.53 1ttn s TRP 66 N 6.59 3.06 -0.16 -0.53 1.48 -1.26 -1.79 118.94 126.33 1ttn s TRP 66 Ca 0.76 0.87 -0.10 0.00 -1.06 0.00 0.00 56.10 56.56 1ttn s TRP 66 Cb -0.21 -3.69 0.05 0.00 -1.16 0.00 0.00 33.47 28.46 1ttn s TRP 66 CO 0.33 -2.50 0.39 -0.06 -4.06 0.00 0.00 176.95 171.05 1ttn s PHE 67 N 1.62 -0.52 -0.28 1.66 0.08 0.50 -2.22 117.98 118.82 1ttn s PHE 67 Ca 0.65 1.17 0.01 0.00 0.12 0.00 0.00 56.93 58.88 1ttn s PHE 67 Cb -0.35 0.21 0.08 0.00 -0.57 0.00 0.00 43.02 42.39 1ttn s PHE 67 CO 0.29 -0.29 0.02 0.12 -0.10 0.00 0.00 175.22 175.26 1ttn s PHE 68 N 1.02 2.43 -1.13 0.36 2.19 0.14 0.20 117.98 123.19 1ttn s PHE 68 Ca -0.07 -1.98 0.00 0.00 0.33 0.00 0.00 56.93 55.22 1ttn s PHE 68 Cb -0.07 -1.89 0.00 0.00 -1.31 0.00 0.00 43.02 39.75 1ttn s PHE 68 CO -0.08 -0.83 0.00 0.45 1.83 0.00 0.00 175.22 176.58 1ttn n SER 69 N 4.65 -5.31 0.00 6.13 2.88 -1.26 -1.80 113.62 118.91 1ttn n SER 69 Ca -0.05 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1ttn n SER 69 Cb 0.43 -3.75 0.00 0.00 -0.75 0.00 0.00 64.21 60.14 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 -0.30 1.17 3.28 0.46 0.00 -1.26 -5.11 105.19 103.42 1ttn n GLY 70 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.56 2.92 -0.01 1.61 0.52 -0.75 -5.10 118.95 117.59 1ttn s ARG 71 Ca 0.00 -0.84 -0.30 0.00 -0.52 0.00 0.00 55.73 54.07 1ttn s ARG 71 Cb 0.00 -2.32 -0.06 0.00 0.52 0.00 0.00 34.95 33.09 1ttn s ARG 71 CO 0.00 0.28 1.47 -2.14 0.02 0.00 0.00 175.30 174.93 1ttn s PRO 72 N 0.12 4.25 0.27 3.54 0.02 -1.26 0.24 135.00 142.18 1ttn s PRO 72 Ca -0.11 2.03 -0.29 0.00 0.02 0.00 0.00 61.00 62.65 1ttn s PRO 72 Cb -0.16 -3.66 -0.09 0.00 0.02 0.00 0.00 34.50 30.61 1ttn s PRO 72 CO 0.06 -0.65 1.00 -0.51 -0.33 0.00 0.00 177.00 176.56 1ttn s LEU 73 N 2.80 4.56 0.00 -5.54 2.01 -0.94 -4.93 118.68 116.64 1ttn s LEU 73 Ca 0.66 2.04 0.05 0.00 0.01 0.00 0.00 54.13 56.89 1ttn s LEU 73 Cb -0.32 -3.69 0.05 0.00 0.01 0.00 0.00 46.19 42.24 1ttn s LEU 73 CO 0.27 0.01 0.38 0.35 1.01 0.00 0.00 176.35 178.37 1ttn n THR 74 N 1.22 0.00 0.96 5.49 -2.24 -1.26 -4.81 114.28 113.63 1ttn n THR 74 Ca -0.01 -1.61 -0.00 0.00 -2.27 0.00 0.00 64.05 60.16 1ttn n THR 74 Cb 0.47 -0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.45 1ttn n THR 74 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ttn n ASP 75 N -2.02 1.60 -1.54 3.42 2.03 -1.26 -3.11 116.55 115.67 1ttn n ASP 75 Ca 0.02 -2.02 0.02 0.00 0.52 0.00 0.00 54.79 53.33 1ttn n ASP 75 Cb 0.47 -0.50 0.01 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.13 0.12 -0.04 -0.67 4.01 -1.26 -4.71 118.16 115.75 1ttn n LYS 76 Ca 0.01 -1.97 -0.22 0.00 -0.51 0.00 0.00 58.31 55.62 1ttn n LYS 76 Cb 0.34 -0.04 -0.13 0.00 -0.51 0.00 0.00 35.03 34.69 1ttn n LYS 76 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1ttn n MET 77 N 0.35 0.68 0.06 1.97 2.81 -1.18 -3.71 117.12 118.10 1ttn n MET 77 Ca 0.02 0.38 -0.03 0.00 -1.81 0.00 0.00 57.70 56.26 1ttn n MET 77 Cb 1.07 -1.72 -0.01 0.00 -0.71 0.00 0.00 33.22 31.84 1ttn n MET 77 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1ttn h LYS 78 N -0.35 -0.17 0.00 0.03 3.11 -1.88 -0.51 116.57 116.80 1ttn h LYS 78 Ca -0.40 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.45 1ttn h LYS 78 Cb 1.75 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 33.02 1ttn h LYS 78 CO -0.03 -0.11 0.07 0.34 -2.81 0.00 0.00 179.45 176.91 1ttn n PHE 79 N -2.59 0.20 0.01 1.91 7.35 -1.25 -1.21 117.46 121.88 1ttn n PHE 79 Ca -0.02 0.11 -0.03 0.00 -0.76 0.00 0.00 57.45 56.74 1ttn n PHE 79 Cb 0.07 -0.61 -0.10 0.00 0.35 0.00 0.00 39.48 39.19 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 -1.67 0.62 -0.07 -4.13 0.00 -0.68 -4.53 120.64 110.19 1ttn n GLU 80 Ca -0.00 0.25 -0.05 0.00 0.00 0.00 0.00 57.16 57.35 1ttn n GLU 80 Cb 0.08 -1.80 -0.02 0.00 0.00 0.00 0.00 31.44 29.70 1ttn n GLU 80 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1ttn n GLU 81 N -2.94 0.44 0.00 5.31 4.07 -0.29 -4.94 120.64 122.28 1ttn n GLU 81 Ca -0.12 0.46 0.00 0.00 -0.06 0.00 0.00 57.16 57.43 1ttn n GLU 81 Cb 0.92 -1.59 0.00 0.00 -0.06 0.00 0.00 31.44 30.70 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 -4.45 0.00 -2.06 4.31 7.99 -0.70 -4.75 117.00 117.34 1ttn n LEU 82 Ca -0.08 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.67 1ttn n LEU 82 Cb 0.29 -0.04 0.12 0.00 -0.11 0.00 0.00 43.42 43.68 1ttn n LEU 82 CO 0.12 0.00 1.11 0.29 -1.51 0.00 0.00 177.39 177.40 1ttn n LYS 83 N -1.79 2.52 0.10 3.23 4.76 -1.26 -4.54 118.16 121.18 1ttn n LYS 83 Ca 0.00 -3.30 0.03 0.00 -2.87 0.00 0.00 58.31 52.17 1ttn n LYS 83 Cb 0.00 -2.17 -0.02 0.00 -1.84 0.00 0.00 35.03 31.00 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 1.15 0.57 -0.14 -0.18 3.07 -1.85 -3.26 117.51 116.87 1ttn h ILE 84 Ca 0.52 -1.93 -0.35 0.00 1.55 0.00 0.00 64.86 64.65 1ttn h ILE 84 Cb 1.67 2.14 -0.09 0.00 -0.27 0.00 0.00 36.82 40.27 1ttn h ILE 84 CO 1.14 0.33 1.68 -2.65 -1.05 0.00 0.00 178.15 177.59 1ttn n PRO 85 N -3.02 0.14 -1.46 0.16 -0.02 -0.51 -0.42 135.00 129.87 1ttn n PRO 85 Ca -0.03 -0.11 -0.16 0.00 -2.02 0.00 0.00 63.50 61.18 1ttn n PRO 85 Cb 0.75 -1.63 -0.07 0.00 -0.02 0.00 0.00 33.50 32.53 1ttn n PRO 85 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ttn n LYS 86 N 6.92 -1.57 0.00 -0.52 4.81 -1.03 -4.80 118.16 121.96 1ttn n LYS 86 Ca 0.63 1.05 0.00 0.00 -0.87 0.00 0.00 58.31 59.12 1ttn n LYS 86 Cb 0.17 -5.45 0.00 0.00 0.02 0.00 0.00 35.03 29.78 1ttn n LYS 86 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ttn n ASP 87 N -1.24 0.00 -4.80 3.14 -0.08 0.44 -5.04 116.55 108.98 1ttn n ASP 87 Ca -0.16 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.78 1ttn n ASP 87 Cb 0.63 -0.13 -0.04 0.00 2.34 0.00 0.00 41.12 43.92 1ttn n ASP 87 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1ttn s TYR 88 N -0.90 3.07 -0.07 -0.67 1.51 -1.17 -4.95 117.35 114.16 1ttn s TYR 88 Ca 0.00 1.59 -0.03 0.00 -1.01 0.00 0.00 57.07 57.63 1ttn s TYR 88 Cb 0.00 -3.07 0.04 0.00 -0.11 0.00 0.00 41.96 38.82 1ttn s TYR 88 CO 0.00 -0.75 0.14 0.54 -1.11 0.00 0.00 175.55 174.37 1ttn s VAL 89 N -1.92 -0.10 -0.28 0.71 0.11 -1.26 -2.31 120.40 115.36 1ttn s VAL 89 Ca 0.65 0.23 -0.11 0.00 -2.93 0.00 0.00 61.98 59.82 1ttn s VAL 89 Cb -0.17 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.39 1ttn s VAL 89 CO 0.21 0.09 0.19 -0.69 -3.33 0.00 0.00 175.10 171.57 1ttn s VAL 90 N 1.44 5.31 -0.20 2.04 1.01 0.12 -4.78 120.40 125.34 1ttn s VAL 90 Ca -0.06 0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 1ttn s VAL 90 Cb -0.12 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1ttn s VAL 90 CO -0.06 0.26 0.75 -1.58 0.00 0.00 0.00 175.10 174.47 1ttn s GLN 91 N 1.70 4.23 0.25 2.72 -0.44 0.54 -0.93 119.66 127.73 1ttn s GLN 91 Ca 0.07 0.82 0.07 0.00 -2.50 0.00 0.00 55.36 53.83 1ttn s GLN 91 Cb -0.16 -3.60 -0.04 0.00 -1.64 0.00 0.00 33.01 27.58 1ttn s GLN 91 CO 0.10 -0.35 0.19 0.14 0.50 0.00 0.00 175.29 175.87 1ttn s VAL 92 N 2.25 4.41 -0.08 1.34 -7.23 0.27 -0.37 120.40 121.00 1ttn s VAL 92 Ca 0.33 -1.42 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 1ttn s VAL 92 Cb -0.16 -3.38 0.04 0.00 0.56 0.00 0.00 36.38 33.43 1ttn s VAL 92 CO 0.10 -0.35 0.04 0.27 -0.31 0.00 0.00 175.10 174.86 1ttn s ILE 93 N -2.13 0.09 -0.46 -0.62 -4.36 -0.74 -2.33 121.20 110.63 1ttn s ILE 93 Ca 0.33 0.18 0.00 0.00 -0.26 0.00 0.00 60.65 60.90 1ttn s ILE 93 Cb -0.08 -0.39 0.12 0.00 1.25 0.00 0.00 42.46 43.37 1ttn s ILE 93 CO 0.25 0.12 0.23 0.54 0.24 0.00 0.00 174.94 176.32 1ttn s VAL 94 N 2.08 3.02 -0.35 8.37 0.11 -1.09 -2.20 120.40 130.34 1ttn s VAL 94 Ca 0.04 -2.58 0.05 0.00 -2.93 0.00 0.00 61.98 56.56 1ttn s VAL 94 Cb -0.13 -3.07 0.47 0.00 -1.53 0.00 0.00 36.38 32.12 1ttn s VAL 94 CO -0.05 -0.73 1.53 -1.20 -3.33 0.00 0.00 175.10 171.31 1ttn n SER 95 N 3.97 3.68 -4.22 3.54 7.64 -1.26 -4.71 113.62 122.26 1ttn n SER 95 Ca 0.03 -2.93 -0.41 0.00 1.01 0.00 0.00 58.87 56.57 1ttn n SER 95 Cb 0.39 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 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 -0.30 3.21 -0.12 1.43 1.13 -1.26 -4.88 117.38 116.59 1ttn n GLN 96 Ca 0.33 -4.48 -0.02 0.00 -1.94 0.00 0.00 57.00 50.90 1ttn n GLN 96 Cb 1.16 -2.49 0.21 0.00 0.11 0.00 0.00 30.24 29.23 1ttn n GLN 96 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1ttn h PRO 97 N 6.29 0.80 0.00 -1.09 0.13 -1.89 -2.13 132.00 134.11 1ttn h PRO 97 Ca 0.17 -0.16 -0.10 0.00 -0.87 0.00 0.00 66.00 65.04 1ttn h PRO 97 Cb 0.83 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1ttn h PRO 97 CO 0.97 0.72 -0.50 0.28 -0.23 0.00 0.00 178.00 179.24 1ttn h VAL 98 N 0.78 1.24 0.00 1.56 2.07 -2.00 -2.75 116.25 117.15 1ttn h VAL 98 Ca 0.17 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1ttn h VAL 98 Cb 0.27 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1ttn h VAL 98 CO -0.00 0.49 -0.17 1.67 0.02 0.00 0.00 177.57 179.57 1ttn n GLN 99 N -3.77 0.19 -0.56 1.57 -0.06 -0.93 -5.30 117.38 108.52 1ttn n GLN 99 Ca -0.01 0.12 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 1ttn n GLN 99 Cb 0.54 -1.69 0.00 0.00 -4.06 0.00 0.00 30.24 25.03 1ttn n GLN 99 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95