#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cur n THR 2 N 0.00 2.85 -4.11 2.61 -2.24 -1.26 -4.79 114.28 107.34 1cur n THR 2 Ca 0.00 -2.77 0.05 0.00 -2.27 0.00 0.00 64.05 59.06 1cur n THR 2 Cb 0.00 -2.35 -0.01 0.00 -2.10 0.00 0.00 70.33 65.86 1cur n THR 2 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1cur n LEU 3 N 9.24 0.00 -4.73 3.22 4.77 -1.26 -4.40 117.00 123.83 1cur n LEU 3 Ca 0.49 0.40 -0.41 0.00 -0.03 0.00 0.00 56.01 56.45 1cur n LEU 3 Cb 0.43 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.37 1cur n LEU 3 CO 0.83 -1.85 0.94 -0.62 -1.33 0.00 0.00 177.39 175.36 1cur s ASP 4 N -4.82 6.99 -0.29 -1.43 -1.08 0.52 -4.78 116.67 111.79 1cur s ASP 4 Ca 0.00 2.26 0.15 0.00 -0.52 0.00 0.00 52.55 54.44 1cur s ASP 4 Cb 0.00 -2.60 0.48 0.00 -1.46 0.00 0.00 42.92 39.34 1cur s ASP 4 CO 0.00 -0.47 1.14 0.35 0.52 0.00 0.00 175.17 176.71 1cur n THR 5 N 2.94 1.86 -1.47 1.71 -2.24 -1.26 -2.09 114.28 113.72 1cur n THR 5 Ca 0.06 -3.60 -0.40 0.00 -2.27 0.00 0.00 64.05 57.85 1cur n THR 5 Cb 0.44 0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 1cur n THR 5 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1cur n THR 6 N -0.61 3.92 -2.69 4.28 -1.04 -1.26 -4.92 114.28 111.95 1cur n THR 6 Ca 0.25 -2.73 -0.43 0.00 -2.04 0.00 0.00 64.05 59.10 1cur n THR 6 Cb 0.87 -2.61 -0.02 0.00 -1.82 0.00 0.00 70.33 66.75 1cur n THR 6 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1cur s TRP 7 N 2.63 3.38 0.21 -1.42 0.23 -1.26 -4.31 118.94 118.41 1cur s TRP 7 Ca 0.60 1.47 -0.03 0.00 -2.03 0.00 0.00 56.10 56.11 1cur s TRP 7 Cb 0.16 -3.23 -0.03 0.00 0.03 0.00 0.00 33.47 30.40 1cur s TRP 7 CO -0.07 -0.40 0.20 0.15 0.96 0.00 0.00 176.95 177.78 1cur s LYS 8 N 2.84 1.28 -0.04 4.98 -0.14 -0.47 -5.04 119.74 123.15 1cur s LYS 8 Ca 0.44 -1.58 0.01 0.00 -1.36 0.00 0.00 55.97 53.48 1cur s LYS 8 Cb -0.16 0.31 0.02 0.00 -1.68 0.00 0.00 37.83 36.32 1cur s LYS 8 CO 0.09 -0.44 -0.04 -1.21 -0.76 0.00 0.00 175.35 172.99 1cur s GLU 9 N -4.10 0.76 0.00 1.68 8.01 -1.26 -0.57 118.70 123.22 1cur s GLU 9 Ca 0.36 -0.07 0.00 0.00 0.01 0.00 0.00 54.97 55.27 1cur s GLU 9 Cb 0.06 -0.81 0.00 0.00 -4.31 0.00 0.00 34.13 29.07 1cur s GLU 9 CO 0.12 -0.10 0.00 0.00 0.01 0.00 0.00 175.26 175.29 1cur n ALA 10 N 4.12 0.00 -2.26 5.21 0.00 0.50 -4.78 120.51 123.30 1cur n ALA 10 Ca -0.24 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 1cur n ALA 10 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 1cur n ALA 10 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cur s THR 11 N 1.81 0.22 0.14 0.00 -4.23 -1.26 -0.26 115.64 112.07 1cur s THR 11 Ca 0.00 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.24 1cur s THR 11 Cb 0.00 -2.55 -0.06 0.00 1.34 0.00 0.00 72.50 71.23 1cur s THR 11 CO 0.00 0.00 1.38 -0.11 -0.54 0.00 0.00 174.62 175.35 1cur n LEU 12 N -0.39 -0.93 0.27 4.79 0.00 -0.55 -0.26 117.00 119.92 1cur n LEU 12 Ca 0.02 1.59 0.09 0.00 0.00 0.00 0.00 56.01 57.70 1cur n LEU 12 Cb 0.66 -0.22 0.68 0.00 0.00 0.00 0.00 43.42 44.54 1cur n LEU 12 CO 0.35 -1.28 1.08 1.55 0.00 0.00 0.00 177.39 179.08 1cur h PRO 13 N 0.00 0.00 0.00 1.96 0.13 -1.99 -0.42 132.00 131.68 1cur h PRO 13 Ca 0.14 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.23 1cur h PRO 13 Cb 0.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 1cur h PRO 13 CO -0.82 0.00 -0.20 1.96 -0.23 0.00 0.00 178.00 178.71 1cur h GLN 14 N 0.00 0.00 -0.31 0.86 4.20 -1.04 -0.49 115.11 118.32 1cur h GLN 14 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1cur h GLN 14 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1cur h GLN 14 CO 0.00 0.20 0.16 0.28 -0.67 0.00 0.00 178.83 178.81 1cur h VAL 15 N 0.00 1.14 -0.07 -0.54 2.07 -0.87 0.98 116.25 118.96 1cur h VAL 15 Ca -0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1cur h VAL 15 Cb 0.51 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1cur h VAL 15 CO 0.03 0.14 0.04 0.11 0.02 0.00 0.00 177.57 177.91 1cur h LYS 16 N 0.38 0.10 -0.50 1.57 1.57 -1.35 1.00 116.57 119.32 1cur h LYS 16 Ca 0.11 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.98 1cur h LYS 16 Cb 0.08 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.28 1cur h LYS 16 CO -0.02 0.09 -0.07 0.00 -0.57 0.00 0.00 179.45 178.89 1cur h ALA 17 N 1.00 0.40 0.04 3.86 0.00 -0.85 0.10 119.26 123.81 1cur h ALA 17 Ca 0.03 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1cur h ALA 17 Cb 0.02 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1cur h ALA 17 CO -0.01 -0.42 -0.02 0.52 0.00 0.00 0.00 179.25 179.33 1cur h MET 18 N 0.05 -0.05 -0.95 0.00 2.86 -0.55 -2.88 114.93 113.42 1cur h MET 18 Ca 0.25 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.05 1cur h MET 18 Cb 0.38 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.96 1cur h MET 18 CO -0.47 0.15 0.55 -0.07 1.06 0.00 0.00 176.91 178.13 1cur h LEU 19 N -0.23 0.73 -1.40 1.22 3.38 -0.05 0.29 115.31 119.25 1cur h LEU 19 Ca -0.00 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1cur h LEU 19 Cb 0.21 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1cur h LEU 19 CO 0.01 0.32 0.47 -0.33 0.09 0.00 0.00 178.44 179.00 1cur h GLU 20 N 0.78 0.70 -2.12 1.13 5.08 -0.72 -2.49 114.58 116.94 1cur h GLU 20 Ca 0.51 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.64 1cur h GLU 20 Cb 0.69 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 1cur h GLU 20 CO -0.34 0.46 -0.17 1.63 -1.00 0.00 0.00 179.01 179.59 1cur n LYS 21 N -4.48 1.90 0.02 2.33 4.76 0.10 -4.55 118.16 118.24 1cur n LYS 21 Ca 0.11 -0.96 -0.13 0.00 -2.87 0.00 0.00 58.31 54.46 1cur n LYS 21 Cb 0.25 -1.99 -0.09 0.00 -1.84 0.00 0.00 35.03 31.35 1cur n LYS 21 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1cur h ASP 22 N 3.31 -0.07 0.00 4.39 1.82 -1.56 -3.45 116.42 120.86 1cur h ASP 22 Ca 0.20 -0.43 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 1cur h ASP 22 Cb 1.36 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.38 1cur h ASP 22 CO 0.31 0.41 0.00 0.35 -1.61 0.00 0.00 179.24 178.69 1cur n THR 23 N -4.90 0.00 -1.82 2.25 -2.24 -1.26 -4.65 114.28 101.65 1cur n THR 23 Ca -0.08 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1cur n THR 23 Cb 0.25 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 1cur n THR 23 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1cur s GLY 24 N 0.00 1.36 0.70 3.38 0.00 -1.26 -4.85 107.32 106.64 1cur s GLY 24 Ca 0.00 1.05 -0.11 0.00 0.00 0.00 0.00 44.72 45.66 1cur s GLY 24 CO 0.00 3.32 1.09 0.54 0.00 0.00 0.00 173.10 178.05 1cur s LYS 25 N 4.54 2.93 0.36 2.90 3.01 0.78 -4.74 119.74 129.52 1cur s LYS 25 Ca 0.83 0.50 -0.14 0.00 -1.01 0.00 0.00 55.97 56.15 1cur s LYS 25 Cb -0.37 -2.03 -0.08 0.00 -1.01 0.00 0.00 37.83 34.34 1cur s LYS 25 CO 0.36 -0.99 0.77 0.08 0.51 0.00 0.00 175.35 176.07 1cur s VAL 26 N -3.33 4.68 -0.45 3.17 1.01 -1.26 -0.14 120.40 124.07 1cur s VAL 26 Ca 0.58 0.92 0.07 0.00 0.00 0.00 0.00 61.98 63.54 1cur s VAL 26 Cb -0.11 -3.64 0.23 0.00 0.00 0.00 0.00 36.38 32.86 1cur s VAL 26 CO 0.52 -0.29 0.68 -1.20 0.00 0.00 0.00 175.10 174.81 1cur n SER 27 N -0.64 -1.64 0.00 3.32 7.64 0.79 -4.75 113.62 118.33 1cur n SER 27 Ca 0.04 -2.95 0.00 0.00 1.01 0.00 0.00 58.87 56.97 1cur n SER 27 Cb 0.53 0.71 0.00 0.00 -1.01 0.00 0.00 64.21 64.44 1cur n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cur n GLY 28 N 1.84 1.61 2.22 0.23 0.00 -1.26 -2.83 105.19 107.01 1cur n GLY 28 Ca 0.16 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 1cur n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cur n ASP 29 N 0.16 7.81 -3.49 1.61 2.03 -1.26 -4.71 116.55 118.70 1cur n ASP 29 Ca 0.00 -2.55 -0.15 0.00 0.52 0.00 0.00 54.79 52.61 1cur n ASP 29 Cb 0.00 -1.52 -0.04 0.00 -0.72 0.00 0.00 41.12 38.84 1cur n ASP 29 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1cur s THR 30 N 1.84 0.00 0.14 5.18 2.01 -1.13 -4.49 115.64 119.20 1cur s THR 30 Ca 0.69 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.77 1cur s THR 30 Cb 0.22 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1cur s THR 30 CO -0.04 0.00 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.09 1cur s VAL 31 N -2.16 3.24 -0.02 3.82 1.01 0.52 -0.15 120.40 126.65 1cur s VAL 31 Ca -0.06 -1.48 -0.01 0.00 0.00 0.00 0.00 61.98 60.43 1cur s VAL 31 Cb -0.00 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1cur s VAL 31 CO 0.01 0.00 0.04 -0.89 0.00 0.00 0.00 175.10 174.26 1cur s THR 32 N -1.45 -0.02 0.33 3.92 2.01 0.80 -0.53 115.64 120.70 1cur s THR 32 Ca 0.23 0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.37 1cur s THR 32 Cb -0.10 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 1cur s THR 32 CO 0.14 0.03 0.24 -0.31 -0.69 0.00 0.00 174.62 174.03 1cur s TYR 33 N 0.37 2.88 -0.38 4.92 1.51 0.16 -0.15 117.35 126.65 1cur s TYR 33 Ca -0.03 -0.30 0.10 0.00 -1.01 0.00 0.00 57.07 55.84 1cur s TYR 33 Cb -0.04 -1.71 0.40 0.00 -0.11 0.00 0.00 41.96 40.50 1cur s TYR 33 CO -0.01 0.26 1.39 0.43 -1.11 0.00 0.00 175.55 176.51 1cur n SER 34 N -1.29 -1.67 -3.64 2.29 7.64 -1.26 -4.56 113.62 111.13 1cur n SER 34 Ca -0.03 -2.40 0.02 0.00 1.01 0.00 0.00 58.87 57.46 1cur n SER 34 Cb 0.60 0.88 -0.00 0.00 -1.01 0.00 0.00 64.21 64.67 1cur n SER 34 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1cur s GLY 35 N -1.27 -0.36 0.18 0.23 0.00 -1.26 -5.05 107.32 99.80 1cur s GLY 35 Ca 0.19 0.57 0.04 0.00 0.00 0.00 0.00 44.72 45.52 1cur s GLY 35 CO -0.10 0.97 1.42 0.50 0.00 0.00 0.00 173.10 175.90 1cur h LYS 36 N 2.00 0.17 -4.30 2.90 6.56 -1.94 -3.39 116.57 118.57 1cur h LYS 36 Ca -0.29 -0.17 -0.70 0.00 -1.06 0.00 0.00 60.65 58.43 1cur h LYS 36 Cb 1.20 0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 32.87 1cur h LYS 36 CO 0.29 0.90 2.92 2.41 -2.06 0.00 0.00 179.45 183.91 1cur n THR 37 N -3.68 3.35 -2.48 -0.16 -1.04 -1.26 0.05 114.28 109.06 1cur n THR 37 Ca -0.03 -3.02 -0.43 0.00 -2.04 0.00 0.00 64.05 58.54 1cur n THR 37 Cb 0.77 -2.55 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 1cur n THR 37 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1cur n VAL 38 N 5.38 3.93 -2.65 12.58 0.31 -0.41 -4.93 118.33 132.54 1cur n VAL 38 Ca 0.51 -4.03 -0.43 0.00 -0.01 0.00 0.00 64.34 60.38 1cur n VAL 38 Cb 0.40 -2.41 -0.02 0.00 -0.91 0.00 0.00 33.84 30.90 1cur n VAL 38 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1cur s HIS 39 N 3.51 2.92 -0.37 3.52 2.46 -1.26 -0.33 115.29 125.75 1cur s HIS 39 Ca 0.51 0.80 -0.06 0.00 0.47 0.00 0.00 55.06 56.78 1cur s HIS 39 Cb 0.05 -4.16 0.07 0.00 -0.13 0.00 0.00 32.58 28.40 1cur s HIS 39 CO 0.04 -1.11 0.15 0.08 -2.47 0.00 0.00 174.74 171.43 1cur s VAL 40 N 4.13 3.70 -0.77 0.89 1.01 -0.13 -4.53 120.40 124.70 1cur s VAL 40 Ca 0.46 -1.42 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 1cur s VAL 40 Cb -0.09 -3.23 0.10 0.00 0.00 0.00 0.00 36.38 33.17 1cur s VAL 40 CO 0.26 -0.35 1.01 -0.69 0.00 0.00 0.00 175.10 175.33 1cur s VAL 41 N 1.34 4.57 -0.54 2.92 1.01 -1.26 -0.12 120.40 128.32 1cur s VAL 41 Ca 0.01 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.84 1cur s VAL 41 Cb -0.21 -4.70 0.13 0.00 0.00 0.00 0.00 36.38 31.60 1cur s VAL 41 CO 0.01 -1.44 0.50 0.00 0.00 0.00 0.00 175.10 174.17 1cur s ALA 42 N 3.26 3.65 -0.49 5.51 0.00 0.49 -0.66 121.76 133.53 1cur s ALA 42 Ca 0.26 -2.54 -0.24 0.00 0.00 0.00 0.00 51.96 49.43 1cur s ALA 42 Cb -0.12 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.76 1cur s ALA 42 CO 0.01 -2.02 0.86 0.00 0.00 0.00 0.00 175.76 174.61 1cur s ALA 43 N 1.59 3.24 -1.17 0.00 0.00 0.77 -0.55 121.76 125.65 1cur s ALA 43 Ca 0.03 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 50.76 1cur s ALA 43 Cb -0.30 -3.59 0.12 0.00 0.00 0.00 0.00 23.12 19.35 1cur s ALA 43 CO 0.03 -2.11 1.49 0.00 0.00 0.00 0.00 175.76 175.16 1cur s ALA 44 N 3.58 3.54 -0.14 0.00 0.00 0.20 -0.48 121.76 128.47 1cur s ALA 44 Ca 0.31 -3.00 -0.05 0.00 0.00 0.00 0.00 51.96 49.22 1cur s ALA 44 Cb -0.12 -4.33 0.02 0.00 0.00 0.00 0.00 23.12 18.69 1cur s ALA 44 CO 0.22 -3.07 0.09 0.28 0.00 0.00 0.00 175.76 173.28 1cur n VAL 45 N 5.58 -8.56 -2.64 0.00 0.31 -1.21 -3.86 118.33 107.96 1cur n VAL 45 Ca 0.38 1.45 -0.38 0.00 -0.01 0.00 0.00 64.34 65.79 1cur n VAL 45 Cb 0.46 -5.49 -0.05 0.00 -0.91 0.00 0.00 33.84 27.84 1cur n VAL 45 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1cur s LEU 46 N -0.62 4.32 -0.30 7.52 1.43 -1.26 -3.48 118.68 126.29 1cur s LEU 46 Ca -0.11 1.99 -0.29 0.00 -1.03 0.00 0.00 54.13 54.70 1cur s LEU 46 Cb 0.01 -3.99 -0.07 0.00 0.03 0.00 0.00 46.19 42.17 1cur s LEU 46 CO 0.47 -0.23 2.27 -0.81 0.23 0.00 0.00 176.35 178.28 1cur n PRO 47 N 0.48 1.62 0.00 1.29 -0.04 -1.26 -0.64 135.00 136.46 1cur n PRO 47 Ca 0.02 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1cur n PRO 47 Cb 0.49 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 1cur n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cur n GLY 48 N 5.95 2.88 3.69 0.55 0.00 -1.26 -5.07 105.19 111.93 1cur n GLY 48 Ca 0.34 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1cur n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 49 N 0.00 3.55 0.20 1.61 0.40 0.19 -4.94 117.98 118.99 1cur s PHE 49 Ca 0.00 1.61 -0.03 0.00 -0.60 0.00 0.00 56.93 57.92 1cur s PHE 49 Cb 0.00 -3.17 0.15 0.00 0.51 0.00 0.00 43.02 40.51 1cur s PHE 49 CO 0.00 -0.17 1.54 -1.00 0.70 0.00 0.00 175.22 176.29 1cur h PRO 50 N 7.03 0.56 -2.32 0.24 0.13 -1.96 -3.41 132.00 132.28 1cur h PRO 50 Ca -0.33 -0.33 0.27 0.00 -0.87 0.00 0.00 66.00 64.74 1cur h PRO 50 Cb 1.16 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1cur h PRO 50 CO 0.83 0.93 0.78 -0.06 -0.23 0.00 0.00 178.00 180.25 1cur s PHE 51 N -4.10 0.05 -0.01 1.56 0.08 -1.26 -5.04 117.98 109.26 1cur s PHE 51 Ca -0.07 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.71 1cur s PHE 51 Cb 0.12 0.62 -0.03 0.00 -0.57 0.00 0.00 43.02 43.16 1cur s PHE 51 CO 0.83 -0.53 0.03 -0.35 -0.10 0.00 0.00 175.22 175.11 1cur n PRO 52 N -0.84 1.35 -2.51 0.24 -0.04 -1.26 -5.07 135.00 126.87 1cur n PRO 52 Ca 0.02 -0.01 -0.28 0.00 -0.04 0.00 0.00 63.50 63.19 1cur n PRO 52 Cb 0.59 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 1cur n PRO 52 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1cur s SER 53 N -2.59 6.21 -0.25 3.54 1.04 -1.26 -4.63 113.70 115.76 1cur s SER 53 Ca -0.01 0.98 -0.29 0.00 0.48 0.00 0.00 55.95 57.11 1cur s SER 53 Cb 0.01 -2.24 -0.00 0.00 0.10 0.00 0.00 66.02 63.89 1cur s SER 53 CO 0.08 -0.66 1.23 -0.36 0.98 0.00 0.00 173.24 174.51 1cur s PHE 54 N -2.82 2.87 -0.48 5.02 0.08 -1.18 -3.31 117.98 118.15 1cur s PHE 54 Ca 0.49 1.02 -0.14 0.00 0.12 0.00 0.00 56.93 58.42 1cur s PHE 54 Cb -0.10 -3.69 0.09 0.00 -0.57 0.00 0.00 43.02 38.75 1cur s PHE 54 CO 0.46 -1.45 0.39 -1.21 -0.10 0.00 0.00 175.22 173.31 1cur s GLU 55 N 3.79 2.86 -0.31 0.44 2.02 0.37 -0.36 118.70 127.52 1cur s GLU 55 Ca 0.53 -1.51 -0.07 0.00 0.02 0.00 0.00 54.97 53.94 1cur s GLU 55 Cb -0.17 -4.09 0.02 0.00 0.10 0.00 0.00 34.13 29.99 1cur s GLU 55 CO 0.18 -1.11 0.09 0.08 0.02 0.00 0.00 175.26 174.51 1cur s VAL 56 N 1.56 3.88 0.00 2.63 1.01 0.73 -0.16 120.40 130.05 1cur s VAL 56 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1cur s VAL 56 Cb -0.26 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1cur s VAL 56 CO 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.13 1cur n HIS 57 N 4.84 0.00 0.25 5.22 1.44 0.16 -0.85 115.22 126.29 1cur n HIS 57 Ca -0.14 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.69 1cur n HIS 57 Cb 0.47 0.00 0.65 0.00 0.12 0.00 0.00 29.99 31.23 1cur n HIS 57 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 1cur h ASP 58 N 0.00 0.00 -0.97 4.39 1.82 -1.92 -3.46 116.42 116.28 1cur h ASP 58 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1cur h ASP 58 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1cur h ASP 58 CO 0.00 0.15 0.00 0.29 -1.61 0.00 0.00 179.24 178.07 1cur n LYS 59 N -3.52 0.10 -4.84 0.28 5.02 -0.03 -5.14 118.16 110.02 1cur n LYS 59 Ca -0.01 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.01 1cur n LYS 59 Cb 0.30 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.14 1cur n LYS 59 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cur s LYS 60 N -0.40 2.16 -1.54 1.97 1.02 -1.26 -0.19 119.74 121.49 1cur s LYS 60 Ca 0.00 -0.60 -0.09 0.00 0.02 0.00 0.00 55.97 55.30 1cur s LYS 60 Cb 0.00 -1.73 0.07 0.00 -0.52 0.00 0.00 37.83 35.65 1cur s LYS 60 CO 0.00 0.12 0.59 0.09 -0.92 0.00 0.00 175.35 175.23 1cur n ASN 61 N 3.59 -1.77 -4.75 2.83 5.03 0.52 -4.88 115.26 115.83 1cur n ASN 61 Ca -0.21 -1.01 -0.33 0.00 0.87 0.00 0.00 54.58 53.90 1cur n ASN 61 Cb 0.52 -2.92 0.06 0.00 -1.02 0.00 0.00 39.78 36.43 1cur n ASN 61 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1cur s PRO 62 N -6.75 2.57 -0.01 3.52 0.04 -1.26 -4.67 135.00 128.44 1cur s PRO 62 Ca 0.35 1.51 -0.22 0.00 0.04 0.00 0.00 61.00 62.68 1cur s PRO 62 Cb -0.19 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1cur s PRO 62 CO 0.91 -1.45 0.65 0.99 0.04 0.00 0.00 177.00 178.14 1cur s THR 63 N -2.23 4.90 -0.15 1.26 2.01 -1.26 -4.17 115.64 116.00 1cur s THR 63 Ca 0.69 1.36 -0.02 0.00 0.31 0.00 0.00 61.69 64.03 1cur s THR 63 Cb -0.23 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 1cur s THR 63 CO 0.43 0.37 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.89 1cur s LEU 64 N 0.06 2.96 -0.33 4.42 1.02 0.23 -0.35 118.68 126.68 1cur s LEU 64 Ca 0.34 -0.26 -0.13 0.00 0.02 0.00 0.00 54.13 54.10 1cur s LEU 64 Cb -0.19 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.30 1cur s LEU 64 CO 0.18 0.14 0.26 -1.61 0.02 0.00 0.00 176.35 175.35 1cur s GLU 65 N 0.52 3.57 0.01 1.70 2.02 0.31 -0.44 118.70 126.40 1cur s GLU 65 Ca -0.06 -0.55 0.08 0.00 0.02 0.00 0.00 54.97 54.47 1cur s GLU 65 Cb -0.15 -3.79 -0.02 0.00 0.10 0.00 0.00 34.13 30.27 1cur s GLU 65 CO 0.03 -0.43 -0.25 0.42 0.02 0.00 0.00 175.26 175.05 1cur s ILE 66 N 1.79 2.03 -0.23 -1.63 1.01 0.42 -0.67 121.20 123.93 1cur s ILE 66 Ca 0.08 -1.23 -0.29 0.00 0.00 0.00 0.00 60.65 59.21 1cur s ILE 66 Cb -0.17 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.59 1cur s ILE 66 CO 0.11 0.45 1.10 -2.16 0.00 0.00 0.00 174.94 174.43 1cur s PRO 67 N -0.93 4.22 0.27 2.79 0.04 -1.26 -0.90 135.00 139.23 1cur s PRO 67 Ca 0.10 1.39 -0.27 0.00 0.04 0.00 0.00 61.00 62.26 1cur s PRO 67 Cb -0.10 -3.68 -0.15 0.00 0.04 0.00 0.00 34.50 30.61 1cur s PRO 67 CO 0.01 -0.69 0.79 0.00 0.04 0.00 0.00 177.00 177.15 1cur n ALA 68 N 6.48 -1.26 -0.42 8.56 0.00 0.52 -1.78 120.51 132.62 1cur n ALA 68 Ca 0.12 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1cur n ALA 68 Cb 0.46 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1cur n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cur n GLY 69 N 1.54 1.77 3.72 0.00 0.00 -0.04 -4.99 105.19 107.19 1cur n GLY 69 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1cur n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cur s ALA 70 N -3.08 2.03 -0.79 4.61 0.00 -0.73 -4.81 121.76 118.98 1cur s ALA 70 Ca 0.00 0.81 -0.24 0.00 0.00 0.00 0.00 51.96 52.53 1cur s ALA 70 Cb 0.00 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.72 1cur s ALA 70 CO 0.00 -2.00 1.19 0.99 0.00 0.00 0.00 175.76 175.94 1cur s THR 71 N -2.12 4.08 -0.73 0.00 2.01 0.11 -4.02 115.64 114.96 1cur s THR 71 Ca 0.73 -0.31 -0.27 0.00 0.31 0.00 0.00 61.69 62.15 1cur s THR 71 Cb -0.28 -4.85 0.03 0.00 0.01 0.00 0.00 72.50 67.41 1cur s THR 71 CO 0.48 -1.70 1.30 -0.69 -0.69 0.00 0.00 174.62 173.31 1cur s VAL 72 N 4.68 3.71 -0.86 3.82 1.01 0.10 -1.29 120.40 131.58 1cur s VAL 72 Ca 0.33 0.41 -0.18 0.00 0.00 0.00 0.00 61.98 62.54 1cur s VAL 72 Cb -0.09 -4.88 0.15 0.00 0.00 0.00 0.00 36.38 31.55 1cur s VAL 72 CO 0.06 -1.82 0.99 -1.81 0.00 0.00 0.00 175.10 172.52 1cur s ASP 73 N 3.87 6.59 -0.62 3.32 1.11 0.55 -0.43 116.67 131.06 1cur s ASP 73 Ca 0.36 -2.09 -0.27 0.00 0.18 0.00 0.00 52.55 50.73 1cur s ASP 73 Cb -0.08 -2.34 0.02 0.00 1.07 0.00 0.00 42.92 41.58 1cur s ASP 73 CO 0.15 -0.97 1.40 -0.69 1.18 0.00 0.00 175.17 176.25 1cur s VAL 74 N 2.14 3.74 -0.58 -1.27 1.01 0.56 -0.95 120.40 125.04 1cur s VAL 74 Ca 0.26 0.57 -0.15 0.00 0.00 0.00 0.00 61.98 62.66 1cur s VAL 74 Cb -0.09 -4.56 0.14 0.00 0.00 0.00 0.00 36.38 31.88 1cur s VAL 74 CO -0.07 -1.36 0.52 -0.89 0.00 0.00 0.00 175.10 173.30 1cur s THR 75 N 6.18 5.13 0.58 3.92 2.01 0.83 -0.65 115.64 133.64 1cur s THR 75 Ca 0.48 -1.72 -0.14 0.00 0.31 0.00 0.00 61.69 60.62 1cur s THR 75 Cb -0.10 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 1cur s THR 75 CO 0.22 -0.88 1.02 -0.36 -0.69 0.00 0.00 174.62 173.92 1cur s PHE 76 N 1.31 3.33 -0.42 4.92 0.08 0.04 -0.38 117.98 126.86 1cur s PHE 76 Ca 0.06 1.43 0.05 0.00 0.12 0.00 0.00 56.93 58.59 1cur s PHE 76 Cb -0.26 -2.84 0.19 0.00 -0.57 0.00 0.00 43.02 39.54 1cur s PHE 76 CO 0.00 -0.74 0.38 -0.89 -0.10 0.00 0.00 175.22 173.87 1cur n ILE 77 N -2.18 -1.01 -3.22 0.64 -0.00 0.29 -3.18 119.36 110.70 1cur n ILE 77 Ca 0.07 -3.59 -0.45 0.00 -0.00 0.00 0.00 62.75 58.78 1cur n ILE 77 Cb 0.54 -1.73 -0.05 0.00 -0.00 0.00 0.00 39.64 38.39 1cur n ILE 77 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 1cur s ASN 78 N -0.25 6.19 -0.38 4.38 2.47 0.13 -0.63 114.94 126.85 1cur s ASN 78 Ca 0.33 -1.43 0.12 0.00 0.42 0.00 0.00 52.86 52.30 1cur s ASN 78 Cb 0.06 -2.25 0.39 0.00 -1.45 0.00 0.00 41.25 38.00 1cur s ASN 78 CO -0.18 -0.92 1.02 0.41 -3.72 0.00 0.00 177.10 173.71 1cur n THR 79 N 5.41 0.28 0.28 -5.21 -1.04 -1.25 -3.72 114.28 109.03 1cur n THR 79 Ca -0.11 -2.79 0.16 0.00 -2.04 0.00 0.00 64.05 59.27 1cur n THR 79 Cb 0.42 0.66 0.54 0.00 -1.82 0.00 0.00 70.33 70.14 1cur n THR 79 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1cur h ASN 80 N 2.76 0.00 -2.91 8.00 -0.00 -1.66 -3.36 115.58 118.41 1cur h ASN 80 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.21 1cur h ASN 80 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.46 1cur h ASN 80 CO 0.30 0.00 0.00 0.29 -0.00 0.00 0.00 177.43 178.02 1cur n LYS 81 N -3.04 0.00 0.00 6.67 5.02 -1.26 -4.74 118.16 120.82 1cur n LYS 81 Ca 0.02 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1cur n LYS 81 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 1cur n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cur n GLY 82 N 0.16 1.24 3.53 0.72 0.00 -1.26 -4.81 105.19 104.77 1cur n GLY 82 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1cur n GLY 82 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cur n PHE 83 N 0.00 4.33 -1.17 1.61 3.72 -1.26 -4.89 117.46 119.80 1cur n PHE 83 Ca 0.00 -2.65 -0.13 0.00 -0.05 0.00 0.00 57.45 54.62 1cur n PHE 83 Cb 0.00 -2.63 -0.07 0.00 -0.94 0.00 0.00 39.48 35.84 1cur n PHE 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cur n GLY 84 N 5.38 -0.12 3.76 1.37 0.00 -1.26 -4.64 105.19 109.68 1cur n GLY 84 Ca 0.49 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 46.01 1cur n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1cur s HIS 85 N 8.96 2.56 0.16 1.61 3.76 -1.26 -4.36 115.29 126.72 1cur s HIS 85 Ca 0.46 1.37 0.05 0.00 -0.15 0.00 0.00 55.06 56.79 1cur s HIS 85 Cb 0.00 -3.75 -0.04 0.00 1.11 0.00 0.00 32.58 29.90 1cur s HIS 85 CO 0.14 -2.52 0.11 -1.54 -0.85 0.00 0.00 174.74 170.08 1cur s SER 86 N -0.80 5.40 -0.19 1.40 1.04 -1.26 -1.17 113.70 118.12 1cur s SER 86 Ca 0.63 -0.17 -0.03 0.00 0.48 0.00 0.00 55.95 56.86 1cur s SER 86 Cb -0.39 -1.37 0.06 0.00 0.10 0.00 0.00 66.02 64.41 1cur s SER 86 CO 0.49 0.08 0.03 0.12 0.98 0.00 0.00 173.24 174.94 1cur s PHE 87 N -1.74 1.03 0.06 5.02 2.19 -1.23 -4.22 117.98 119.09 1cur s PHE 87 Ca 0.30 -0.84 0.05 0.00 0.33 0.00 0.00 56.93 56.77 1cur s PHE 87 Cb -0.10 -1.02 -0.03 0.00 -1.31 0.00 0.00 43.02 40.56 1cur s PHE 87 CO 0.23 -0.60 -0.14 -0.51 1.83 0.00 0.00 175.22 176.03 1cur s ASP 88 N 1.86 1.61 -0.06 6.13 1.01 -0.13 -0.52 116.67 126.57 1cur s ASP 88 Ca -0.01 -0.55 0.03 0.00 0.71 0.00 0.00 52.55 52.73 1cur s ASP 88 Cb -0.17 -0.06 -0.02 0.00 1.01 0.00 0.00 42.92 43.67 1cur s ASP 88 CO -0.08 -0.04 -0.15 -0.63 0.21 0.00 0.00 175.17 174.48 1cur s ILE 89 N -1.12 2.99 0.00 0.77 1.01 0.53 -0.47 121.20 124.91 1cur s ILE 89 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1cur s ILE 89 Cb -0.09 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.20 1cur s ILE 89 CO 0.02 0.58 0.00 1.07 0.00 0.00 0.00 174.94 176.61 1cur n THR 90 N 2.56 0.00 -0.11 2.92 5.66 -0.04 -1.10 114.28 124.18 1cur n THR 90 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1cur n THR 90 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1cur n THR 90 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1cur n LYS 91 N 0.00 2.12 -1.77 1.09 5.02 -1.26 -0.09 118.16 123.27 1cur n LYS 91 Ca 0.00 -1.24 -0.43 0.00 -2.02 0.00 0.00 58.31 54.62 1cur n LYS 91 Cb 0.00 -0.95 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 1cur n LYS 91 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cur s LYS 92 N -0.75 3.59 0.65 1.97 1.02 -1.26 -4.77 119.74 120.19 1cur s LYS 92 Ca 0.00 2.07 -0.04 0.00 0.02 0.00 0.00 55.97 58.02 1cur s LYS 92 Cb 0.00 -4.22 0.05 0.00 -0.52 0.00 0.00 37.83 33.14 1cur s LYS 92 CO 0.00 -1.56 0.93 0.20 -0.92 0.00 0.00 175.35 174.00 1cur s GLY 93 N 6.06 1.74 0.89 -3.33 0.00 -1.26 -4.70 107.32 106.72 1cur s GLY 93 Ca 0.89 -1.09 -0.11 0.00 0.00 0.00 0.00 44.72 44.40 1cur s GLY 93 CO 0.35 -0.72 1.09 2.56 0.00 0.00 0.00 173.10 176.39 1cur s PRO 94 N -5.08 1.30 0.08 2.90 0.04 -1.26 -4.48 135.00 128.50 1cur s PRO 94 Ca 0.59 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 1cur s PRO 94 Cb -0.10 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 1cur s PRO 94 CO 0.43 -2.24 1.16 -1.25 0.04 0.00 0.00 177.00 175.14 1cur s PRO 95 N -4.88 4.47 0.60 0.56 0.04 -1.26 -5.16 135.00 129.36 1cur s PRO 95 Ca 0.63 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 63.29 1cur s PRO 95 Cb -0.18 -3.34 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 1cur s PRO 95 CO 0.57 -0.18 1.02 0.71 0.04 0.00 0.00 177.00 179.16 1cur s TYR 96 N 0.81 3.54 0.18 0.56 2.02 -1.26 -5.09 117.35 118.10 1cur s TYR 96 Ca 0.56 1.35 -0.00 0.00 -0.37 0.00 0.00 57.07 58.61 1cur s TYR 96 Cb -0.29 -2.75 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 1cur s TYR 96 CO 0.30 -0.65 0.08 0.00 -1.57 0.00 0.00 175.55 173.70 1cur s ALA 97 N -3.02 1.16 -1.42 3.71 0.00 -1.26 -4.62 121.76 116.31 1cur s ALA 97 Ca 0.56 -1.62 -0.09 0.00 0.00 0.00 0.00 51.96 50.81 1cur s ALA 97 Cb -0.11 1.00 -0.08 0.00 0.00 0.00 0.00 23.12 23.93 1cur s ALA 97 CO 0.48 -0.49 2.70 0.28 0.00 0.00 0.00 175.76 178.74 1cur n VAL 98 N -0.23 3.77 -3.42 0.00 0.31 -1.26 -4.25 118.33 113.26 1cur n VAL 98 Ca -0.03 -2.28 -0.17 0.00 -0.01 0.00 0.00 64.34 61.86 1cur n VAL 98 Cb 0.65 -2.49 -0.10 0.00 -0.91 0.00 0.00 33.84 30.99 1cur n VAL 98 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1cur s MET 99 N 2.56 0.29 -0.79 5.55 -1.94 -1.26 -4.82 119.30 118.90 1cur s MET 99 Ca 0.61 0.03 -0.26 0.00 -1.71 0.00 0.00 55.69 54.36 1cur s MET 99 Cb 0.16 -0.79 -0.21 0.00 2.01 0.00 0.00 34.83 35.99 1cur s MET 99 CO -0.05 -0.88 1.90 -2.30 -0.01 0.00 0.00 175.02 173.68 1cur n PRO 100 N 5.32 0.79 -1.55 2.03 -0.02 -1.26 -4.80 135.00 135.51 1cur n PRO 100 Ca -0.03 -1.78 -0.41 0.00 -2.02 0.00 0.00 63.50 59.26 1cur n PRO 100 Cb 0.48 -3.33 -0.01 0.00 -0.02 0.00 0.00 33.50 30.62 1cur n PRO 100 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1cur n VAL 101 N 7.59 3.51 0.13 -1.45 0.31 -1.26 -4.63 118.33 122.53 1cur n VAL 101 Ca 0.45 -2.74 0.05 0.00 -0.01 0.00 0.00 64.34 62.09 1cur n VAL 101 Cb 0.44 -2.57 0.03 0.00 -0.91 0.00 0.00 33.84 30.83 1cur n VAL 101 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1cur h ILE 102 N 3.77 0.53 -0.54 2.52 3.07 -1.96 -3.36 117.51 121.54 1cur h ILE 102 Ca 0.63 -1.81 0.08 0.00 1.55 0.00 0.00 64.86 65.31 1cur h ILE 102 Cb 0.54 2.17 -0.10 0.00 -0.27 0.00 0.00 36.82 39.15 1cur h ILE 102 CO 1.86 0.30 -0.45 0.44 -1.05 0.00 0.00 178.15 179.25 1cur h ASP 103 N 0.00 -1.53 0.00 2.16 5.19 -2.02 -2.39 116.42 117.83 1cur h ASP 103 Ca -0.03 0.24 -0.65 0.00 -0.62 0.00 0.00 57.03 55.97 1cur h ASP 103 Cb 1.31 0.68 0.00 0.00 0.18 0.00 0.00 39.33 41.50 1cur h ASP 103 CO 0.04 -0.35 2.91 -0.81 -3.12 0.00 0.00 179.24 177.91 1cur n PRO 104 N -5.40 2.44 -5.04 3.56 -0.04 -1.26 -4.88 135.00 124.39 1cur n PRO 104 Ca 0.01 -2.19 -0.31 0.00 -0.04 0.00 0.00 63.50 60.97 1cur n PRO 104 Cb 0.35 -3.02 -0.15 0.00 -0.04 0.00 0.00 33.50 30.63 1cur n PRO 104 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1cur s ILE 105 N 3.67 2.32 0.00 0.52 -1.09 -0.90 -4.76 121.20 120.96 1cur s ILE 105 Ca 0.52 -1.16 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 1cur s ILE 105 Cb 0.14 -1.88 0.00 0.00 -1.58 0.00 0.00 42.46 39.15 1cur s ILE 105 CO -0.01 0.48 0.00 0.52 -1.23 0.00 0.00 174.94 174.70 1cur n VAL 106 N 2.09 0.00 -3.14 2.92 0.31 -0.26 -5.02 118.33 115.23 1cur n VAL 106 Ca -0.16 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 63.92 1cur n VAL 106 Cb 0.52 -0.35 -0.00 0.00 -0.91 0.00 0.00 33.84 33.10 1cur n VAL 106 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cur s ALA 107 N -4.00 3.67 0.00 3.52 0.00 -1.21 -4.96 121.76 118.78 1cur s ALA 107 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1cur s ALA 107 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1cur s ALA 107 CO 0.00 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1cur n GLY 108 N -1.95 0.99 3.44 0.00 0.00 -1.26 -0.35 105.19 106.05 1cur n GLY 108 Ca -0.02 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 1cur n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cur s THR 109 N -1.99 3.81 -1.45 2.61 -4.23 0.33 -0.35 115.64 114.36 1cur s THR 109 Ca 0.00 -0.37 -0.09 0.00 -1.18 0.00 0.00 61.69 60.05 1cur s THR 109 Cb 0.00 -2.71 -0.10 0.00 1.34 0.00 0.00 72.50 71.03 1cur s THR 109 CO 0.00 0.45 3.03 0.61 -0.54 0.00 0.00 174.62 178.16 1cur n GLY 110 N 4.12 4.14 1.97 3.99 0.00 -0.89 -3.52 105.19 114.99 1cur n GLY 110 Ca -0.17 -1.48 -0.02 0.00 0.00 0.00 0.00 46.02 44.34 1cur n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cur n PHE 111 N 3.43 -1.90 -1.79 1.61 3.72 -1.26 -5.00 117.46 116.27 1cur n PHE 111 Ca 0.75 1.08 -0.30 0.00 -0.05 0.00 0.00 57.45 58.93 1cur n PHE 111 Cb 0.30 -2.54 0.06 0.00 -0.94 0.00 0.00 39.48 36.36 1cur n PHE 111 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1cur s SER 112 N -0.33 5.08 0.90 4.37 1.04 -0.31 -4.91 113.70 119.54 1cur s SER 112 Ca -0.11 1.14 -0.10 0.00 0.48 0.00 0.00 55.95 57.36 1cur s SER 112 Cb 0.01 -1.89 0.14 0.00 0.10 0.00 0.00 66.02 64.37 1cur s SER 112 CO 0.34 -1.57 1.15 -2.84 0.98 0.00 0.00 173.24 171.30 1cur s PRO 113 N -5.32 1.12 -0.38 4.02 0.02 -1.26 -4.31 135.00 128.89 1cur s PRO 113 Ca 0.59 1.56 0.02 0.00 0.02 0.00 0.00 61.00 63.18 1cur s PRO 113 Cb -0.12 -1.74 0.15 0.00 0.02 0.00 0.00 34.50 32.81 1cur s PRO 113 CO 0.52 -2.56 0.26 0.14 -0.33 0.00 0.00 177.00 175.04 1cur s VAL 114 N -2.62 0.27 1.02 3.83 -7.23 -1.26 -4.44 120.40 109.97 1cur s VAL 114 Ca 0.67 -2.10 -0.13 0.00 -1.81 0.00 0.00 61.98 58.61 1cur s VAL 114 Cb -0.23 -1.20 0.13 0.00 0.56 0.00 0.00 36.38 35.63 1cur s VAL 114 CO 0.57 -1.08 0.63 -2.65 -0.31 0.00 0.00 175.10 172.26 1cur n PRO 115 N 3.57 -1.03 0.03 4.82 -0.02 -1.26 -4.07 135.00 137.04 1cur n PRO 115 Ca 0.19 -0.26 0.04 0.00 -2.02 0.00 0.00 63.50 61.45 1cur n PRO 115 Cb 0.41 -2.02 -0.08 0.00 -0.02 0.00 0.00 33.50 31.79 1cur n PRO 115 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1cur n LYS 116 N -3.07 0.63 0.00 -0.52 5.02 -1.26 -4.17 118.16 114.80 1cur n LYS 116 Ca 0.06 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1cur n LYS 116 Cb 0.55 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1cur n LYS 116 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1cur n ASP 117 N -2.70 0.00 0.00 4.39 5.68 -1.26 -5.00 116.55 117.66 1cur n ASP 117 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 1cur n ASP 117 Cb 0.74 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.72 1cur n ASP 117 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cur n GLY 118 N -0.09 0.82 3.85 6.12 0.00 -1.26 -4.83 105.19 109.80 1cur n GLY 118 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1cur n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cur s LYS 119 N 0.00 3.58 -0.20 1.61 1.02 -1.26 -1.49 119.74 123.00 1cur s LYS 119 Ca 0.00 0.89 -0.05 0.00 0.02 0.00 0.00 55.97 56.83 1cur s LYS 119 Cb 0.00 -2.08 0.07 0.00 -0.52 0.00 0.00 37.83 35.30 1cur s LYS 119 CO 0.00 -0.59 0.10 -0.06 -0.92 0.00 0.00 175.35 173.88 1cur s PHE 120 N -2.92 0.27 -0.24 3.18 0.08 0.65 -4.69 117.98 114.30 1cur s PHE 120 Ca 0.57 -0.47 -0.28 0.00 0.12 0.00 0.00 56.93 56.87 1cur s PHE 120 Cb -0.12 -0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 41.53 1cur s PHE 120 CO 0.46 -0.59 2.20 0.20 -0.10 0.00 0.00 175.22 177.38 1cur s GLY 121 N 2.12 0.49 0.16 4.36 0.00 -1.24 -0.37 107.32 112.82 1cur s GLY 121 Ca 0.04 0.71 0.07 0.00 0.00 0.00 0.00 44.72 45.53 1cur s GLY 121 CO -0.15 3.78 -0.15 -2.52 0.00 0.00 0.00 173.10 174.05 1cur s TYR 122 N 8.38 1.59 -0.30 1.90 1.13 0.27 -0.70 117.35 129.62 1cur s TYR 122 Ca 0.99 -0.55 -0.01 0.00 -1.41 0.00 0.00 57.07 56.09 1cur s TYR 122 Cb -0.31 -0.79 0.19 0.00 -1.10 0.00 0.00 41.96 39.94 1cur s TYR 122 CO 0.35 0.25 0.59 0.99 -2.51 0.00 0.00 175.55 175.22 1cur s THR 123 N -2.40 -0.99 -1.34 -3.49 2.01 -1.19 -1.36 115.64 106.88 1cur s THR 123 Ca 0.15 -0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.04 1cur s THR 123 Cb -0.04 -0.99 0.13 0.00 0.01 0.00 0.00 72.50 71.61 1cur s THR 123 CO 0.05 -0.00 2.00 0.47 -0.69 0.00 0.00 174.62 176.45 1cur n ASP 124 N 5.43 4.88 -4.71 3.53 9.92 -1.25 -0.78 116.55 133.56 1cur n ASP 124 Ca -0.01 -3.03 -0.42 0.00 -0.53 0.00 0.00 54.79 50.80 1cur n ASP 124 Cb 0.51 -1.52 -0.03 0.00 -0.64 0.00 0.00 41.12 39.44 1cur n ASP 124 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1cur s PHE 125 N 1.12 3.33 -0.21 1.24 -0.71 0.18 -4.75 117.98 118.18 1cur s PHE 125 Ca 0.42 1.15 -0.09 0.00 -1.04 0.00 0.00 56.93 57.37 1cur s PHE 125 Cb 0.11 -3.53 -0.04 0.00 -1.21 0.00 0.00 43.02 38.35 1cur s PHE 125 CO -0.02 -1.74 0.11 0.99 -1.34 0.00 0.00 175.22 173.22 1cur s THR 126 N 1.17 5.06 0.10 -4.49 2.01 -1.26 -0.32 115.64 117.90 1cur s THR 126 Ca 0.61 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.70 1cur s THR 126 Cb -0.32 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1cur s THR 126 CO 0.29 0.40 -0.08 0.86 -0.69 0.00 0.00 174.62 175.40 1cur s TRP 127 N 0.77 0.95 -0.20 4.92 -0.00 0.42 -4.98 118.94 120.82 1cur s TRP 127 Ca 0.06 -0.79 0.01 0.00 -0.00 0.00 0.00 56.10 55.38 1cur s TRP 127 Cb -0.13 -0.53 0.04 0.00 -0.00 0.00 0.00 33.47 32.85 1cur s TRP 127 CO 0.02 -0.08 -0.12 -1.01 -0.00 0.00 0.00 176.95 175.76 1cur s HIS 128 N -3.06 2.52 0.17 5.86 3.76 -1.26 0.01 115.29 123.29 1cur s HIS 128 Ca 0.08 -1.63 -0.09 0.00 -0.15 0.00 0.00 55.06 53.27 1cur s HIS 128 Cb 0.01 -1.70 -0.07 0.00 1.11 0.00 0.00 32.58 31.94 1cur s HIS 128 CO -0.02 -0.76 0.48 -1.25 -0.85 0.00 0.00 174.74 172.34 1cur s PRO 129 N 1.36 3.79 0.15 8.40 0.04 -1.26 -4.90 135.00 142.57 1cur s PRO 129 Ca -0.01 0.22 -0.06 0.00 0.04 0.00 0.00 61.00 61.20 1cur s PRO 129 Cb -0.16 -2.80 -0.06 0.00 0.04 0.00 0.00 34.50 31.52 1cur s PRO 129 CO -0.09 0.42 0.39 0.95 0.04 0.00 0.00 177.00 178.72 1cur s THR 130 N -1.64 5.14 0.69 1.26 -4.23 -1.26 -0.86 115.64 114.73 1cur s THR 130 Ca 0.42 0.10 -0.17 0.00 -1.18 0.00 0.00 61.69 60.86 1cur s THR 130 Cb -0.13 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.09 1cur s THR 130 CO 0.21 0.05 1.04 0.00 -0.54 0.00 0.00 174.62 175.38 1cur n ALA 131 N 0.13 0.14 0.00 3.99 0.00 -1.26 -4.64 120.51 118.87 1cur n ALA 131 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1cur n ALA 131 Cb 0.52 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1cur n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cur n GLY 132 N 1.08 0.15 3.36 0.00 0.00 0.74 -4.94 105.19 105.57 1cur n GLY 132 Ca 0.14 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 1cur n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cur s THR 133 N 0.00 0.03 0.26 2.61 2.01 -1.26 -0.74 115.64 118.54 1cur s THR 133 Ca 0.00 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.79 1cur s THR 133 Cb 0.00 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1cur s THR 133 CO 0.00 -0.13 0.19 -0.31 -0.69 0.00 0.00 174.62 173.68 1cur s TYR 134 N -0.96 1.42 0.04 4.92 1.51 0.82 -4.87 117.35 120.22 1cur s TYR 134 Ca -0.10 -1.50 0.02 0.00 -1.01 0.00 0.00 57.07 54.48 1cur s TYR 134 Cb -0.03 -0.63 -0.02 0.00 -0.11 0.00 0.00 41.96 41.16 1cur s TYR 134 CO 0.05 -0.73 -0.07 0.71 -1.11 0.00 0.00 175.55 174.40 1cur s TYR 135 N -3.85 0.63 0.06 2.71 1.51 0.88 -0.53 117.35 118.74 1cur s TYR 135 Ca 0.40 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 56.05 1cur s TYR 135 Cb 0.05 -0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 41.48 1cur s TYR 135 CO 0.19 -0.08 -0.02 1.52 -1.11 0.00 0.00 175.55 176.04 1cur s TYR 136 N -1.22 2.96 -0.01 2.71 1.13 0.27 -0.86 117.35 122.32 1cur s TYR 136 Ca -0.09 -0.02 -0.17 0.00 -1.41 0.00 0.00 57.07 55.38 1cur s TYR 136 Cb -0.09 -1.56 0.03 0.00 -1.10 0.00 0.00 41.96 39.24 1cur s TYR 136 CO 0.00 0.45 0.37 0.14 -2.51 0.00 0.00 175.55 174.00 1cur s VAL 137 N -1.20 0.05 0.16 -3.49 -7.23 0.38 -1.77 120.40 107.30 1cur s VAL 137 Ca 0.22 -0.43 -0.24 0.00 -1.81 0.00 0.00 61.98 59.72 1cur s VAL 137 Cb -0.11 -0.73 -0.08 0.00 0.56 0.00 0.00 36.38 36.02 1cur s VAL 137 CO 0.14 -0.23 0.75 0.00 -0.31 0.00 0.00 175.10 175.45 1cur h GLN 139 N 4.27 0.00 -6.47 0.00 4.20 -1.92 -3.31 115.11 111.88 1cur h GLN 139 Ca -0.47 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 57.71 1cur h GLN 139 Cb 1.21 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.02 1cur h GLN 139 CO 0.66 0.06 1.11 0.42 -0.67 0.00 0.00 178.83 180.41 1cur s ILE 140 N -3.27 2.71 0.00 2.54 1.01 -1.26 -4.60 121.20 118.33 1cur s ILE 140 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1cur s ILE 140 Cb 0.06 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1cur s ILE 140 CO 0.66 -0.00 0.18 -2.65 0.00 0.00 0.00 174.94 173.13 1cur n PRO 141 N 5.95 0.00 0.00 2.79 -0.02 -1.26 -0.76 135.00 141.69 1cur n PRO 141 Ca 0.18 0.18 0.14 0.00 -2.02 0.00 0.00 63.50 61.98 1cur n PRO 141 Cb 0.39 -0.32 0.76 0.00 -0.02 0.00 0.00 33.50 34.32 1cur n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cur n GLY 142 N -0.78 -0.99 0.09 -1.23 0.00 -1.26 -3.94 105.19 97.08 1cur n GLY 142 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 1cur n GLY 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1cur h HIS 143 N 0.00 0.19 -0.81 1.61 3.86 -1.24 0.11 115.15 118.86 1cur h HIS 143 Ca 0.00 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.14 1cur h HIS 143 Cb 0.10 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 1cur h HIS 143 CO 0.00 0.75 0.53 0.00 0.86 0.00 0.00 177.93 180.07 1cur h ALA 144 N 0.41 1.03 -0.31 2.45 0.00 -1.67 0.11 119.26 121.28 1cur h ALA 144 Ca -0.01 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1cur h ALA 144 Cb 0.75 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1cur h ALA 144 CO 0.03 0.45 0.08 0.00 0.00 0.00 0.00 179.25 179.81 1cur h ALA 145 N 1.29 0.34 0.03 0.00 0.00 -1.67 -3.34 119.26 115.91 1cur h ALA 145 Ca 0.30 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1cur h ALA 145 Cb -0.11 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1cur h ALA 145 CO -0.06 -0.32 -0.01 1.79 0.00 0.00 0.00 179.25 180.64 1cur h THR 146 N 0.20 0.30 0.00 0.00 1.35 -0.52 -3.46 112.91 110.79 1cur h THR 146 Ca 0.14 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1cur h THR 146 Cb 0.14 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1cur h THR 146 CO -0.17 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.81 1cur n GLY 147 N 1.65 0.00 2.63 5.82 0.00 -0.25 -5.05 105.19 110.00 1cur n GLY 147 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1cur n GLY 147 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1cur n MET 148 N 0.00 2.72 -2.34 1.61 2.00 0.23 -3.11 117.12 118.23 1cur n MET 148 Ca 0.00 -4.62 -0.04 0.00 0.00 0.00 0.00 57.70 53.04 1cur n MET 148 Cb 0.00 -2.31 0.01 0.00 0.00 0.00 0.00 33.22 30.92 1cur n MET 148 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 175.97 177.94 1cur n PHE 149 N 1.20 -1.63 0.00 2.03 1.16 -1.26 -0.97 117.46 117.99 1cur n PHE 149 Ca 0.27 -0.90 0.00 0.00 -1.87 0.00 0.00 57.45 54.95 1cur n PHE 149 Cb 0.39 0.44 0.00 0.00 -1.61 0.00 0.00 39.48 38.69 1cur n PHE 149 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1cur n GLY 150 N -0.26 1.40 3.91 4.97 0.00 -0.73 -4.48 105.19 110.00 1cur n GLY 150 Ca -0.04 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 1cur n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cur s LYS 151 N -2.00 3.44 -0.31 1.61 1.02 -1.26 -0.57 119.74 121.67 1cur s LYS 151 Ca 0.00 -0.34 0.02 0.00 0.02 0.00 0.00 55.97 55.67 1cur s LYS 151 Cb 0.00 -3.09 0.09 0.00 -0.52 0.00 0.00 37.83 34.32 1cur s LYS 151 CO 0.00 0.66 0.04 0.42 -0.92 0.00 0.00 175.35 175.56 1cur s ILE 152 N -1.36 1.72 -0.02 2.17 1.01 0.31 -0.60 121.20 124.43 1cur s ILE 152 Ca 0.29 -1.86 -0.16 0.00 0.00 0.00 0.00 60.65 58.91 1cur s ILE 152 Cb -0.13 -2.22 -0.06 0.00 0.01 0.00 0.00 42.46 40.06 1cur s ILE 152 CO 0.20 -0.53 0.45 -0.69 0.00 0.00 0.00 174.94 174.37 1cur s VAL 153 N 1.20 5.02 -0.10 2.92 1.01 0.42 -0.13 120.40 130.75 1cur s VAL 153 Ca 0.08 0.92 0.01 0.00 0.00 0.00 0.00 61.98 62.98 1cur s VAL 153 Cb -0.18 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1cur s VAL 153 CO -0.13 0.52 -0.11 -0.69 0.00 0.00 0.00 175.10 174.69 1cur s VAL 154 N -0.69 1.21 0.00 2.92 1.01 0.08 -0.43 120.40 124.50 1cur s VAL 154 Ca 0.25 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1cur s VAL 154 Cb -0.17 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1cur s VAL 154 CO 0.13 0.39 0.00 0.29 0.00 0.00 0.00 175.10 175.91