#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tcz s ASP 16 N 0.00 7.08 0.34 6.43 3.84 -1.26 -5.03 116.67 128.07 1tcz s ASP 16 Ca 0.00 1.36 -0.29 0.00 -0.00 0.00 0.00 52.55 53.62 1tcz s ASP 16 Cb 0.00 -2.40 -0.11 0.00 -1.38 0.00 0.00 42.92 39.03 1tcz s ASP 16 CO 0.00 0.14 1.52 -2.84 -0.00 0.00 0.00 175.17 173.98 1tcz s PRO 17 N -1.61 4.13 -0.69 2.11 0.02 -1.26 -4.47 135.00 133.24 1tcz s PRO 17 Ca 0.37 2.55 -0.16 0.00 0.02 0.00 0.00 61.00 63.79 1tcz s PRO 17 Cb -0.18 -3.00 0.16 0.00 0.02 0.00 0.00 34.50 31.51 1tcz s PRO 17 CO 0.21 -0.55 0.67 0.00 -0.33 0.00 0.00 177.00 177.00 1tcz s ALA 18 N -0.70 3.78 0.29 -1.55 0.00 -1.26 -3.18 121.76 119.13 1tcz s ALA 18 Ca 0.56 -2.83 -0.21 0.00 0.00 0.00 0.00 51.96 49.49 1tcz s ALA 18 Cb -0.47 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.11 1tcz s ALA 18 CO 0.57 -2.23 0.81 -1.01 0.00 0.00 0.00 175.76 173.90 1tcz s HIS 19 N 1.23 3.59 0.31 0.00 3.76 -1.25 -4.91 115.29 118.01 1tcz s HIS 19 Ca 0.12 1.49 0.07 0.00 -0.15 0.00 0.00 55.06 56.59 1tcz s HIS 19 Cb -0.20 -2.71 -0.02 0.00 1.11 0.00 0.00 32.58 30.76 1tcz s HIS 19 CO -0.02 0.22 0.35 0.95 -0.85 0.00 0.00 174.74 175.39 1tcz s THR 20 N -1.68 4.06 0.20 1.30 -4.23 -1.26 -0.82 115.64 113.21 1tcz s THR 20 Ca 0.49 -1.20 -0.09 0.00 -1.18 0.00 0.00 61.69 59.71 1tcz s THR 20 Cb -0.15 -3.38 -0.01 0.00 1.34 0.00 0.00 72.50 70.30 1tcz s THR 20 CO 0.20 -0.21 0.33 0.00 -0.54 0.00 0.00 174.62 174.40 1tcz s ALA 21 N -2.20 0.17 0.04 3.99 0.00 0.10 -4.79 121.76 119.08 1tcz s ALA 21 Ca 0.40 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.32 1tcz s ALA 21 Cb -0.08 1.06 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 1tcz s ALA 21 CO 0.28 -0.72 -0.08 0.95 0.00 0.00 0.00 175.76 176.19 1tcz s THR 22 N -4.03 0.60 0.12 0.00 -4.23 -1.26 -0.76 115.64 106.08 1tcz s THR 22 Ca 0.24 -1.10 -0.26 0.00 -1.18 0.00 0.00 61.69 59.40 1tcz s THR 22 Cb 0.03 -0.66 0.07 0.00 1.34 0.00 0.00 72.50 73.28 1tcz s THR 22 CO 0.06 -0.36 0.90 0.00 -0.54 0.00 0.00 174.62 174.68 1tcz s ALA 23 N -1.36 -1.66 0.31 3.99 0.00 -0.91 -4.98 121.76 117.14 1tcz s ALA 23 Ca -0.09 0.35 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 1tcz s ALA 23 Cb -0.10 0.61 -0.12 0.00 0.00 0.00 0.00 23.12 23.51 1tcz s ALA 23 CO 0.01 -0.93 1.44 -2.30 0.00 0.00 0.00 175.76 173.98 1tcz n PRO 24 N -0.40 2.37 -4.14 0.00 -0.02 -1.26 -0.72 135.00 130.82 1tcz n PRO 24 Ca -0.07 0.84 -0.29 0.00 -2.02 0.00 0.00 63.50 61.95 1tcz n PRO 24 Cb 0.61 -2.52 -0.08 0.00 -0.02 0.00 0.00 33.50 31.49 1tcz n PRO 24 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1tcz s GLY 25 N 0.11 1.87 -0.30 -1.23 0.00 0.32 -1.08 107.32 107.02 1tcz s GLY 25 Ca 0.61 -1.17 0.19 0.00 0.00 0.00 0.00 44.72 44.35 1tcz s GLY 25 CO 0.55 -1.16 1.20 0.61 0.00 0.00 0.00 173.10 174.30 1tcz n GLY 26 N 0.39 1.77 3.75 0.20 0.00 0.13 -4.66 105.19 106.77 1tcz n GLY 26 Ca -0.10 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1tcz n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tcz s LEU 27 N -3.73 3.75 0.11 0.99 1.43 -1.25 -4.74 118.68 115.24 1tcz s LEU 27 Ca 0.23 2.57 0.21 0.00 -1.03 0.00 0.00 54.13 56.11 1tcz s LEU 27 Cb 0.38 -4.45 -0.11 0.00 0.03 0.00 0.00 46.19 42.04 1tcz s LEU 27 CO -0.05 -1.61 0.85 -1.20 0.23 0.00 0.00 176.35 174.56 1tcz n SER 28 N -1.34 0.68 -3.11 2.29 7.64 -1.26 -3.91 113.62 114.60 1tcz n SER 28 Ca 0.12 0.28 -0.12 0.00 1.01 0.00 0.00 58.87 60.15 1tcz n SER 28 Cb 0.47 0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 64.30 1tcz n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tcz s ALA 29 N -3.23 0.17 0.39 -0.43 0.00 -1.26 -4.71 121.76 112.70 1tcz s ALA 29 Ca -0.03 -1.22 -0.27 0.00 0.00 0.00 0.00 51.96 50.44 1tcz s ALA 29 Cb 0.10 0.97 -0.11 0.00 0.00 0.00 0.00 23.12 24.08 1tcz s ALA 29 CO 0.82 -0.87 1.44 1.17 0.00 0.00 0.00 175.76 178.31 1tcz n LYS 30 N -0.55 2.46 -3.69 0.00 3.00 -1.26 -4.06 118.16 114.06 1tcz n LYS 30 Ca -0.03 0.87 -0.18 0.00 -0.00 0.00 0.00 58.31 58.97 1tcz n LYS 30 Cb 0.61 -2.60 -0.17 0.00 0.00 0.00 0.00 35.03 32.87 1tcz n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1tcz s ALA 31 N -1.14 0.11 0.88 3.14 0.00 0.18 -4.97 121.76 119.97 1tcz s ALA 31 Ca 0.56 0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 1tcz s ALA 31 Cb -0.48 -0.59 0.12 0.00 0.00 0.00 0.00 23.12 22.17 1tcz s ALA 31 CO 0.62 -0.42 1.17 -1.25 0.00 0.00 0.00 175.76 175.87 1tcz s PRO 32 N 1.96 1.36 0.63 0.00 0.04 -1.26 -1.44 135.00 136.30 1tcz s PRO 32 Ca 0.02 0.15 -0.18 0.00 0.04 0.00 0.00 61.00 61.03 1tcz s PRO 32 Cb -0.12 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1tcz s PRO 32 CO -0.04 -2.02 1.20 0.00 0.04 0.00 0.00 177.00 176.19 1tcz s ALA 33 N -3.44 2.45 0.00 8.56 0.00 -1.26 -3.11 121.76 124.95 1tcz s ALA 33 Ca 0.64 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1tcz s ALA 33 Cb -0.12 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1tcz s ALA 33 CO 0.52 -1.33 0.00 -1.33 0.00 0.00 0.00 175.76 173.61 1tcz n MET 34 N -1.89 0.00 -3.09 0.00 2.81 0.11 -4.80 117.12 110.25 1tcz n MET 34 Ca 0.13 0.11 -0.40 0.00 -1.81 0.00 0.00 57.70 55.73 1tcz n MET 34 Cb 0.50 -2.54 -0.05 0.00 -0.71 0.00 0.00 33.22 30.41 1tcz n MET 34 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1tcz s THR 35 N -2.00 5.01 0.28 2.03 2.01 -1.18 -1.01 115.64 120.78 1tcz s THR 35 Ca 0.00 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 62.96 1tcz s THR 35 Cb 0.00 -3.97 -0.11 0.00 0.01 0.00 0.00 72.50 68.43 1tcz s THR 35 CO 0.00 0.13 1.48 -2.84 -0.69 0.00 0.00 174.62 172.70 1tcz s PRO 36 N 1.74 4.21 0.24 4.92 0.02 -1.26 -0.46 135.00 144.42 1tcz s PRO 36 Ca 0.31 2.41 0.10 0.00 0.02 0.00 0.00 61.00 63.84 1tcz s PRO 36 Cb -0.16 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 1tcz s PRO 36 CO 0.11 -0.48 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.67 1tcz s LEU 37 N -0.72 2.85 0.31 -5.54 1.43 0.06 -0.62 118.68 116.44 1tcz s LEU 37 Ca 0.59 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1tcz s LEU 37 Cb -0.44 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1tcz s LEU 37 CO 0.48 0.06 0.28 0.00 0.23 0.00 0.00 176.35 177.40 1tcz s MET 38 N -3.26 1.68 -0.12 1.70 0.23 0.11 -0.63 119.30 119.00 1tcz s MET 38 Ca 0.28 -1.90 -0.06 0.00 -1.03 0.00 0.00 55.69 52.97 1tcz s MET 38 Cb -0.07 0.33 -0.04 0.00 -1.53 0.00 0.00 34.83 33.53 1tcz s MET 38 CO 0.16 -0.62 0.12 -0.51 -2.03 0.00 0.00 175.02 172.13 1tcz s LEU 39 N -3.31 4.25 0.01 0.18 1.43 -1.26 -0.97 118.68 119.01 1tcz s LEU 39 Ca 0.39 0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 53.58 1tcz s LEU 39 Cb 0.03 -2.03 -0.07 0.00 0.03 0.00 0.00 46.19 44.15 1tcz s LEU 39 CO 0.24 0.38 1.58 -0.62 0.23 0.00 0.00 176.35 178.16 1tcz s ASP 40 N -0.88 6.70 0.65 2.29 -1.08 0.26 -4.85 116.67 119.75 1tcz s ASP 40 Ca 0.14 2.30 0.36 0.00 -0.52 0.00 0.00 52.55 54.83 1tcz s ASP 40 Cb -0.12 -2.55 1.98 0.00 -1.46 0.00 0.00 42.92 40.77 1tcz s ASP 40 CO 0.03 -0.85 2.11 0.71 0.52 0.00 0.00 175.17 177.70 1tcz h THR 41 N 5.05 0.00 0.00 1.71 1.35 -1.96 0.24 112.91 119.30 1tcz h THR 41 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1tcz h THR 41 Cb 1.19 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1tcz h THR 41 CO 0.93 0.00 -0.41 -0.24 -0.25 0.00 0.00 175.52 175.55 1tcz n SER 42 N -2.93 1.02 0.15 5.36 2.88 -1.26 -4.66 113.62 114.18 1tcz n SER 42 Ca -0.02 0.32 0.05 0.00 -1.33 0.00 0.00 58.87 57.89 1tcz n SER 42 Cb 0.22 -0.67 0.06 0.00 -0.75 0.00 0.00 64.21 63.06 1tcz n SER 42 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1tcz h SER 43 N -0.54 0.00 -1.51 -3.46 4.64 -1.97 -3.47 113.55 107.23 1tcz h SER 43 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 1tcz h SER 43 Cb 0.41 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 1tcz h SER 43 CO 0.00 0.36 -0.29 0.54 -0.87 0.00 0.00 176.83 176.57 1tcz n ARG 44 N -3.16 -0.94 -2.56 4.77 1.74 0.83 -4.97 116.66 112.38 1tcz n ARG 44 Ca 0.02 0.64 -0.25 0.00 -0.77 0.00 0.00 57.85 57.49 1tcz n ARG 44 Cb 0.68 -4.78 0.03 0.00 -1.02 0.00 0.00 32.46 27.37 1tcz n ARG 44 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1tcz s LYS 45 N -4.33 2.83 0.01 5.56 1.02 -1.26 -4.65 119.74 118.93 1tcz s LYS 45 Ca 0.00 -0.25 -0.29 0.00 0.02 0.00 0.00 55.97 55.44 1tcz s LYS 45 Cb 0.00 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.91 1tcz s LYS 45 CO 0.00 -0.65 0.95 -0.51 -0.92 0.00 0.00 175.35 174.23 1tcz s LEU 46 N -4.88 4.39 0.17 3.17 1.43 -0.24 -0.57 118.68 122.14 1tcz s LEU 46 Ca 0.53 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.28 1tcz s LEU 46 Cb -0.10 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1tcz s LEU 46 CO 0.42 -0.22 0.05 0.68 0.23 0.00 0.00 176.35 177.52 1tcz s VAL 47 N 0.83 0.31 0.36 -1.59 -7.23 -0.14 -0.69 120.40 112.24 1tcz s VAL 47 Ca 0.50 -1.95 -0.28 0.00 -1.81 0.00 0.00 61.98 58.43 1tcz s VAL 47 Cb -0.21 -2.19 -0.11 0.00 0.56 0.00 0.00 36.38 34.43 1tcz s VAL 47 CO 0.27 -0.36 1.47 0.00 -0.31 0.00 0.00 175.10 176.18 1tcz s ALA 48 N -3.92 3.58 0.22 1.32 0.00 -1.26 0.04 121.76 121.74 1tcz s ALA 48 Ca 0.27 1.53 -0.30 0.00 0.00 0.00 0.00 51.96 53.46 1tcz s ALA 48 Cb 0.07 -3.59 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 1tcz s ALA 48 CO 0.05 -0.99 1.48 -0.46 0.00 0.00 0.00 175.76 175.84 1tcz s TRP 49 N -1.02 3.03 -0.13 0.00 -0.00 0.21 -4.44 118.94 116.59 1tcz s TRP 49 Ca 0.53 0.90 0.29 0.00 -0.00 0.00 0.00 56.10 57.82 1tcz s TRP 49 Cb -0.46 -3.86 1.28 0.00 -0.00 0.00 0.00 33.47 30.44 1tcz s TRP 49 CO 0.60 -2.91 1.87 0.38 -0.00 0.00 0.00 176.95 176.89 1tcz h ASP 50 N 5.61 0.00 0.00 5.86 3.04 -1.91 -3.44 116.42 125.58 1tcz h ASP 50 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 1tcz h ASP 50 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 1tcz h ASP 50 CO 0.82 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 178.63 1tcz n GLY 51 N -0.20 0.85 0.00 7.15 0.00 -1.26 -4.57 105.19 107.16 1tcz n GLY 51 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1tcz n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tcz n THR 52 N -2.21 0.00 -2.67 2.61 -2.24 -1.26 -3.67 114.28 104.83 1tcz n THR 52 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1tcz n THR 52 Cb 0.00 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 1tcz n THR 52 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1tcz s THR 53 N -1.24 4.21 0.17 4.28 2.01 -1.26 -4.97 115.64 118.84 1tcz s THR 53 Ca 0.00 0.86 -0.34 0.00 0.31 0.00 0.00 61.69 62.53 1tcz s THR 53 Cb 0.00 -4.61 -0.14 0.00 0.01 0.00 0.00 72.50 67.76 1tcz s THR 53 CO 0.00 -1.12 1.58 0.47 -0.69 0.00 0.00 174.62 174.86 1tcz n ASP 54 N 7.89 3.15 -0.24 3.53 10.43 -1.26 -2.40 116.55 137.65 1tcz n ASP 54 Ca 0.08 1.08 -0.03 0.00 2.57 0.00 0.00 54.79 58.49 1tcz n ASP 54 Cb 0.49 -1.44 -0.01 0.00 1.84 0.00 0.00 41.12 41.99 1tcz n ASP 54 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1tcz n GLY 55 N 3.39 0.48 0.17 0.44 0.00 -1.26 -4.90 105.19 103.50 1tcz n GLY 55 Ca 0.17 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.18 1tcz n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tcz h ALA 56 N 0.00 0.77 -2.78 4.61 0.00 -1.77 -3.46 119.26 116.62 1tcz h ALA 56 Ca -0.06 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.23 1tcz h ALA 56 Cb 0.66 0.01 0.08 0.00 0.00 0.00 0.00 17.79 18.54 1tcz h ALA 56 CO 0.09 0.11 0.90 0.00 0.00 0.00 0.00 179.25 180.35 1tcz s ALA 57 N -3.23 3.77 0.00 0.00 0.00 -1.26 -4.27 121.76 116.77 1tcz s ALA 57 Ca 0.03 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1tcz s ALA 57 Cb 0.07 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1tcz s ALA 57 CO 0.73 -0.97 0.00 1.33 0.00 0.00 0.00 175.76 176.85 1tcz n VAL 58 N 2.42 0.00 -4.00 0.00 0.24 0.19 -4.86 118.33 112.32 1tcz n VAL 58 Ca 0.09 -0.38 0.03 0.00 -2.04 0.00 0.00 64.34 62.04 1tcz n VAL 58 Cb 0.37 0.93 0.01 0.00 -1.47 0.00 0.00 33.84 33.69 1tcz n VAL 58 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1tcz s GLY 59 N -0.97 -0.12 -0.14 7.63 0.00 -1.21 -4.88 107.32 107.63 1tcz s GLY 59 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.74 1tcz s GLY 59 CO 0.00 5.85 -0.11 -0.42 0.00 0.00 0.00 173.10 178.42 1tcz s ILE 60 N -2.02 1.36 0.04 0.90 1.01 -1.06 -0.76 121.20 120.67 1tcz s ILE 60 Ca 0.30 -0.54 -0.36 0.00 0.00 0.00 0.00 60.65 60.04 1tcz s ILE 60 Cb -0.01 -1.34 -0.16 0.00 0.01 0.00 0.00 42.46 40.97 1tcz s ILE 60 CO -0.01 0.38 1.49 -0.11 0.00 0.00 0.00 174.94 176.69 1tcz n LEU 61 N 4.83 2.19 -0.03 2.97 7.94 0.40 -0.39 117.00 134.92 1tcz n LEU 61 Ca -0.15 1.10 0.04 0.00 -1.11 0.00 0.00 56.01 55.89 1tcz n LEU 61 Cb 0.50 -1.25 -0.15 0.00 0.53 0.00 0.00 43.42 43.04 1tcz n LEU 61 CO 0.19 -0.72 -0.81 0.00 -1.11 0.00 0.00 177.39 174.94 1tcz n ALA 62 N 3.39 2.36 -3.65 1.96 0.00 0.53 0.04 120.51 125.14 1tcz n ALA 62 Ca 0.19 -0.74 -0.22 0.00 0.00 0.00 0.00 53.44 52.67 1tcz n ALA 62 Cb 0.21 -0.62 -0.17 0.00 0.00 0.00 0.00 19.45 18.88 1tcz n ALA 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1tcz s VAL 63 N -3.18 0.67 0.27 0.00 1.01 -1.18 -4.77 120.40 113.22 1tcz s VAL 63 Ca -0.08 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 1tcz s VAL 63 Cb 0.11 -0.69 -0.14 0.00 0.00 0.00 0.00 36.38 35.66 1tcz s VAL 63 CO 0.88 0.27 1.03 0.00 0.00 0.00 0.00 175.10 177.27 1tcz n ALA 64 N 4.27 -0.36 -3.96 5.51 0.00 -1.26 -4.69 120.51 120.01 1tcz n ALA 64 Ca -0.21 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 1tcz n ALA 64 Cb 0.51 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 1tcz n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tcz n ALA 65 N 0.44 -0.41 -3.00 0.00 0.00 -0.52 -4.95 120.51 112.07 1tcz n ALA 65 Ca 0.11 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 52.03 1tcz n ALA 65 Cb 0.31 1.22 0.00 0.00 0.00 0.00 0.00 19.45 20.97 1tcz n ALA 65 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1tcz n ASP 66 N -1.64 0.00 0.03 0.00 5.68 -1.26 -0.64 116.55 118.71 1tcz n ASP 66 Ca 0.00 -0.70 0.06 0.00 -0.50 0.00 0.00 54.79 53.65 1tcz n ASP 66 Cb 0.56 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.82 1tcz n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1tcz n GLN 67 N 0.00 0.04 0.03 0.11 0.00 -1.25 -1.87 117.38 114.44 1tcz n GLN 67 Ca 0.00 0.36 0.11 0.00 0.00 0.00 0.00 57.00 57.48 1tcz n GLN 67 Cb 0.00 -1.59 0.08 0.00 0.00 0.00 0.00 30.24 28.73 1tcz n GLN 67 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1tcz n THR 68 N -1.66 0.17 -2.27 -0.39 -2.24 -1.26 -4.79 114.28 101.84 1tcz n THR 68 Ca 0.02 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 1tcz n THR 68 Cb 0.13 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.53 1tcz n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1tcz s SER 69 N -3.78 6.41 0.25 3.42 0.01 -0.78 -4.88 113.70 114.35 1tcz s SER 69 Ca 0.06 1.24 0.24 0.00 1.31 0.00 0.00 55.95 58.80 1tcz s SER 69 Cb 0.15 -2.54 0.37 0.00 0.21 0.00 0.00 66.02 64.21 1tcz s SER 69 CO 0.77 -1.29 1.44 0.71 0.41 0.00 0.00 173.24 175.28 1tcz h THR 70 N 6.24 0.00 -3.61 1.44 1.35 -1.88 -3.38 112.91 113.06 1tcz h THR 70 Ca -0.30 -0.75 -0.37 0.00 -0.55 0.00 0.00 66.41 64.44 1tcz h THR 70 Cb 1.12 1.53 -0.32 0.00 -1.73 0.00 0.00 68.15 68.75 1tcz h THR 70 CO 1.04 0.00 -0.76 -0.89 -0.25 0.00 0.00 175.52 174.66 1tcz s THR 71 N -3.21 0.43 0.21 6.82 2.01 -1.26 -0.52 115.64 120.11 1tcz s THR 71 Ca 0.06 -0.12 0.09 0.00 0.31 0.00 0.00 61.69 62.03 1tcz s THR 71 Cb 0.10 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1tcz s THR 71 CO 0.69 0.18 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.97 1tcz s LEU 72 N 0.60 3.03 -0.16 4.42 1.43 0.10 -4.79 118.68 123.32 1tcz s LEU 72 Ca -0.07 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.40 1tcz s LEU 72 Cb -0.11 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 1tcz s LEU 72 CO -0.00 0.07 -0.09 -0.89 0.23 0.00 0.00 176.35 175.67 1tcz s THR 73 N -1.90 3.34 0.06 5.49 2.01 -1.26 -2.14 115.64 121.24 1tcz s THR 73 Ca 0.27 -0.54 -0.05 0.00 0.31 0.00 0.00 61.69 61.68 1tcz s THR 73 Cb -0.08 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 1tcz s THR 73 CO 0.17 0.49 0.07 0.72 -0.69 0.00 0.00 174.62 175.38 1tcz s PHE 74 N 0.60 0.31 0.10 4.92 -0.12 0.06 -0.34 117.98 123.51 1tcz s PHE 74 Ca -0.05 -0.75 -0.29 0.00 -0.05 0.00 0.00 56.93 55.79 1tcz s PHE 74 Cb -0.15 -0.21 -0.06 0.00 -0.63 0.00 0.00 43.02 41.97 1tcz s PHE 74 CO 0.03 -0.42 0.92 0.71 -0.05 0.00 0.00 175.22 176.41 1tcz s TYR 75 N -3.45 3.81 -0.65 3.49 1.51 0.48 0.00 117.35 122.54 1tcz s TYR 75 Ca 0.02 1.74 0.06 0.00 -1.01 0.00 0.00 57.07 57.88 1tcz s TYR 75 Cb 0.04 -3.01 0.08 0.00 -0.11 0.00 0.00 41.96 38.97 1tcz s TYR 75 CO -0.08 0.23 0.83 0.36 -1.11 0.00 0.00 175.55 175.78 1tcz n LYS 76 N 2.74 0.83 -3.89 -0.62 2.85 0.00 -2.56 118.16 117.51 1tcz n LYS 76 Ca 0.01 -1.16 -0.09 0.00 -1.05 0.00 0.00 58.31 56.03 1tcz n LYS 76 Cb 0.49 -1.12 -0.02 0.00 -0.65 0.00 0.00 35.03 33.74 1tcz n LYS 76 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1tcz s SER 77 N -0.66 -0.05 0.00 -5.58 1.04 -1.22 -4.04 113.70 103.19 1tcz s SER 77 Ca 0.09 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1tcz s SER 77 Cb 0.05 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1tcz s SER 77 CO 0.08 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 173.50 1tcz n GLY 78 N -0.47 2.01 3.22 7.32 0.00 -1.17 -3.83 105.19 112.27 1tcz n GLY 78 Ca -0.04 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 1tcz n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tcz s THR 79 N -1.92 2.31 0.02 2.61 2.01 -1.26 -1.77 115.64 117.63 1tcz s THR 79 Ca 0.00 -0.90 0.07 0.00 0.31 0.00 0.00 61.69 61.17 1tcz s THR 79 Cb 0.00 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1tcz s THR 79 CO 0.00 0.54 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.89 1tcz s PHE 80 N 0.71 1.92 0.15 4.92 0.40 -0.34 -4.94 117.98 120.80 1tcz s PHE 80 Ca -0.09 -0.37 -0.31 0.00 -0.60 0.00 0.00 56.93 55.56 1tcz s PHE 80 Cb -0.16 -1.19 -0.09 0.00 0.51 0.00 0.00 43.02 42.10 1tcz s PHE 80 CO 0.01 0.04 1.41 1.03 0.70 0.00 0.00 175.22 178.40 1tcz s ARG 81 N -0.86 4.31 0.31 0.44 0.52 -1.26 -0.70 118.95 121.71 1tcz s ARG 81 Ca 0.08 2.14 0.08 0.00 -0.52 0.00 0.00 55.73 57.51 1tcz s ARG 81 Cb -0.09 -3.21 0.82 0.00 0.52 0.00 0.00 34.95 33.00 1tcz s ARG 81 CO 0.01 -0.42 1.75 -0.92 0.02 0.00 0.00 175.30 175.73 1tcz h TYR 82 N 6.34 1.03 0.00 -0.53 3.20 -1.32 0.13 116.97 125.82 1tcz h TYR 82 Ca -0.43 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.47 1tcz h TYR 82 Cb 1.21 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1tcz h TYR 82 CO 0.64 0.15 0.00 -0.85 -1.64 0.00 0.00 178.16 176.46 1tcz n GLU 83 N -4.82 0.14 0.03 1.82 0.00 -1.26 -3.52 120.64 113.04 1tcz n GLU 83 Ca 0.25 0.17 0.02 0.00 0.00 0.00 0.00 57.16 57.59 1tcz n GLU 83 Cb 0.66 -1.68 -0.08 0.00 0.00 0.00 0.00 31.44 30.34 1tcz n GLU 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1tcz n ASP 84 N -1.94 0.73 -4.72 -1.84 8.00 0.42 -4.87 116.55 112.33 1tcz n ASP 84 Ca 0.06 0.32 -0.42 0.00 0.71 0.00 0.00 54.79 55.45 1tcz n ASP 84 Cb 0.36 0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 41.82 1tcz n ASP 84 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1tcz s VAL 85 N -3.00 4.26 -1.23 2.53 1.01 -1.03 -4.90 120.40 118.05 1tcz s VAL 85 Ca -0.03 1.69 -0.14 0.00 0.00 0.00 0.00 61.98 63.49 1tcz s VAL 85 Cb 0.09 -4.08 0.16 0.00 0.00 0.00 0.00 36.38 32.55 1tcz s VAL 85 CO 0.82 0.17 1.50 0.18 0.00 0.00 0.00 175.10 177.76 1tcz n LEU 86 N 3.58 5.30 -4.75 3.92 4.77 -0.18 -5.00 117.00 124.63 1tcz n LEU 86 Ca 0.07 -4.42 -0.37 0.00 -0.03 0.00 0.00 56.01 51.25 1tcz n LEU 86 Cb 0.48 -1.62 0.03 0.00 -2.33 0.00 0.00 43.42 39.98 1tcz n LEU 86 CO 0.54 0.72 0.89 0.26 -1.33 0.00 0.00 177.39 178.47 1tcz s TRP 87 N 1.73 2.40 0.37 -1.77 0.52 -1.26 -4.32 118.94 116.61 1tcz s TRP 87 Ca 0.44 1.47 -0.26 0.00 0.02 0.00 0.00 56.10 57.78 1tcz s TRP 87 Cb -0.01 -3.58 -0.09 0.00 -1.15 0.00 0.00 33.47 28.64 1tcz s TRP 87 CO 0.01 -2.38 1.10 -1.25 0.02 0.00 0.00 176.95 174.45 1tcz s PRO 88 N -3.11 4.24 0.38 4.98 0.04 -1.26 -4.90 135.00 135.36 1tcz s PRO 88 Ca 0.74 1.68 0.17 0.00 0.04 0.00 0.00 61.00 63.63 1tcz s PRO 88 Cb -0.34 -2.74 1.07 0.00 0.04 0.00 0.00 34.50 32.53 1tcz s PRO 88 CO 0.38 -0.11 1.76 0.93 0.04 0.00 0.00 177.00 179.99 1tcz h GLU 89 N 2.85 0.41 0.00 4.56 4.39 -1.93 0.15 114.58 125.01 1tcz h GLU 89 Ca -0.48 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1tcz h GLU 89 Cb 1.22 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1tcz h GLU 89 CO 0.63 0.27 0.00 0.00 -1.16 0.00 0.00 179.01 178.76 1tcz h ALA 90 N 1.65 1.00 -1.52 3.43 0.00 -1.90 -3.32 119.26 118.59 1tcz h ALA 90 Ca 0.62 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.83 1tcz h ALA 90 Cb 1.49 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 19.13 1tcz h ALA 90 CO -0.34 0.00 1.37 0.00 0.00 0.00 0.00 179.25 180.28 1tcz s ALA 91 N -4.06 3.49 -1.56 0.00 0.00 0.52 -4.69 121.76 115.46 1tcz s ALA 91 Ca -0.04 -2.93 0.25 0.00 0.00 0.00 0.00 51.96 49.23 1tcz s ALA 91 Cb 0.12 -4.26 0.45 0.00 0.00 0.00 0.00 23.12 19.43 1tcz s ALA 91 CO 0.40 -3.06 1.37 -1.13 0.00 0.00 0.00 175.76 173.34 1tcz n SER 92 N 6.91 1.10 -4.48 0.00 3.41 -1.25 -4.85 113.62 114.47 1tcz n SER 92 Ca 0.34 -0.88 -0.38 0.00 -0.26 0.00 0.00 58.87 57.69 1tcz n SER 92 Cb 0.47 0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 64.62 1tcz n SER 92 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1tcz s ASP 93 N -2.66 5.65 0.20 4.04 2.15 -1.26 -4.99 116.67 119.80 1tcz s ASP 93 Ca 0.18 -0.38 -0.10 0.00 0.43 0.00 0.00 52.55 52.68 1tcz s ASP 93 Cb 0.18 -2.03 0.26 0.00 -0.30 0.00 0.00 42.92 41.03 1tcz s ASP 93 CO 0.61 -0.16 1.74 -0.08 -0.17 0.00 0.00 175.17 177.11 1tcz h GLU 94 N 8.36 0.36 -0.40 4.34 4.81 -2.00 -2.15 114.58 127.91 1tcz h GLU 94 Ca -0.33 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1tcz h GLU 94 Cb 1.16 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1tcz h GLU 94 CO 0.60 0.24 0.23 1.15 -0.73 0.00 0.00 179.01 180.50 1tcz h THR 95 N 0.37 1.14 -0.27 0.32 2.02 -1.99 -0.66 112.91 113.85 1tcz h THR 95 Ca 0.30 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1tcz h THR 95 Cb 0.37 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1tcz h THR 95 CO -0.31 0.14 0.16 0.11 0.37 0.00 0.00 175.52 175.99 1tcz h LYS 96 N 0.52 0.37 -0.08 6.66 1.57 -1.86 -1.99 116.57 121.76 1tcz h LYS 96 Ca 0.14 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1tcz h LYS 96 Cb 0.03 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1tcz h LYS 96 CO -0.02 0.26 -0.27 0.87 -0.57 0.00 0.00 179.45 179.71 1tcz h LYS 97 N 0.37 0.33 -0.03 3.15 1.57 -0.98 -2.22 116.57 118.76 1tcz h LYS 97 Ca 0.10 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1tcz h LYS 97 Cb -0.00 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1tcz h LYS 97 CO -0.02 0.87 0.03 0.00 -0.57 0.00 0.00 179.45 179.76 1tcz h ARG 98 N -0.15 0.00 -0.27 3.15 3.08 -0.50 -1.70 114.38 118.00 1tcz h ARG 98 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1tcz h ARG 98 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1tcz h ARG 98 CO 0.06 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.21 1tcz n THR 99 N -3.94 1.49 0.28 2.04 -2.24 -0.81 -4.27 114.28 106.83 1tcz n THR 99 Ca -0.02 -1.36 0.15 0.00 -2.27 0.00 0.00 64.05 60.54 1tcz n THR 99 Cb 0.12 0.20 0.89 0.00 -2.10 0.00 0.00 70.33 69.44 1tcz n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tcz h ALA 100 N 1.66 1.60 -0.50 6.98 0.00 -0.65 -1.97 119.26 126.38 1tcz h ALA 100 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tcz h ALA 100 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1tcz h ALA 100 CO 0.08 -0.04 0.00 1.19 0.00 0.00 0.00 179.25 180.47 1tcz n PHE 101 N -3.89 0.74 -1.69 0.00 3.01 -1.26 -4.42 117.46 109.95 1tcz n PHE 101 Ca -0.02 -0.52 -0.44 0.00 1.01 0.00 0.00 57.45 57.47 1tcz n PHE 101 Cb 0.12 -0.05 -0.04 0.00 -0.01 0.00 0.00 39.48 39.50 1tcz n PHE 101 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1tcz n ALA 102 N 0.92 2.09 0.00 4.37 0.00 -0.74 -1.04 120.51 126.11 1tcz n ALA 102 Ca 0.18 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1tcz n ALA 102 Cb 0.55 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.52 1tcz n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tcz n GLY 103 N 3.87 2.18 2.33 0.00 0.00 -1.26 -5.06 105.19 107.25 1tcz n GLY 103 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 1tcz n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tcz n THR 104 N -1.53 0.00 1.39 2.61 -2.24 -0.20 -5.01 114.28 109.31 1tcz n THR 104 Ca 0.00 -1.22 0.14 0.00 -2.27 0.00 0.00 64.05 60.70 1tcz n THR 104 Cb 0.00 -0.54 0.58 0.00 -2.10 0.00 0.00 70.33 68.27 1tcz n THR 104 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tcz n ALA 105 N -2.50 2.80 -2.54 6.98 0.00 -1.26 -4.84 120.51 119.15 1tcz n ALA 105 Ca -0.09 -0.29 -0.36 0.00 0.00 0.00 0.00 53.44 52.70 1tcz n ALA 105 Cb 0.37 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 1tcz n ALA 105 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1tcz s ILE 106 N -2.46 5.06 0.11 0.00 1.01 -1.26 -3.02 121.20 120.65 1tcz s ILE 106 Ca 0.29 0.63 -0.02 0.00 0.00 0.00 0.00 60.65 61.54 1tcz s ILE 106 Cb 0.20 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 1tcz s ILE 106 CO 0.48 0.42 0.07 -0.94 0.00 0.00 0.00 174.94 174.96 1tcz s SER 107 N -1.45 0.31 0.01 3.58 1.04 -0.73 -4.49 113.70 111.99 1tcz s SER 107 Ca 0.29 -1.07 0.05 0.00 0.48 0.00 0.00 55.95 55.70 1tcz s SER 107 Cb -0.15 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 1tcz s SER 107 CO 0.16 -0.71 -0.15 -0.63 0.98 0.00 0.00 173.24 172.89 1tcz s ILE 108 N -3.99 3.03 0.00 -1.02 1.01 -1.26 -1.19 121.20 117.78 1tcz s ILE 108 Ca 0.17 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1tcz s ILE 108 Cb 0.07 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.27 1tcz s ILE 108 CO -0.03 0.41 0.38 0.55 0.00 0.00 0.00 174.94 176.26