#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 0.00 -1.50 2.61 -2.24 -1.26 -4.86 114.28 107.02 1cur n THR 2 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1cur n THR 2 Cb 0.00 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.30 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 0.00 3.40 -3.14 3.22 4.32 -1.26 -4.60 117.00 118.94 1cur n LEU 3 Ca 0.00 0.73 -0.39 0.00 -0.02 0.00 0.00 56.01 56.33 1cur n LEU 3 Cb 0.00 -1.38 -0.09 0.00 -1.62 0.00 0.00 43.42 40.33 1cur n LEU 3 CO 0.00 -2.05 1.37 -0.67 -1.22 0.00 0.00 177.39 174.81 1cur n ASP 4 N -1.05 0.44 -0.99 -1.43 2.03 0.76 -4.31 116.55 112.01 1cur n ASP 4 Ca 0.13 0.38 0.04 0.00 0.52 0.00 0.00 54.79 55.86 1cur n ASP 4 Cb 0.48 -0.66 0.17 0.00 -0.72 0.00 0.00 41.12 40.40 1cur n ASP 4 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1cur n THR 5 N 4.94 1.02 -1.41 5.18 -2.24 -1.26 -4.12 114.28 116.40 1cur n THR 5 Ca 0.42 -0.57 -0.39 0.00 -2.27 0.00 0.00 64.05 61.24 1cur n THR 5 Cb -0.01 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 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 0.33 4.03 -3.36 4.28 -1.04 -1.26 -4.90 114.28 112.35 1cur n THR 6 Ca 0.12 -2.66 -0.39 0.00 -2.04 0.00 0.00 64.05 59.08 1cur n THR 6 Cb 0.57 -2.60 -0.08 0.00 -1.82 0.00 0.00 70.33 66.40 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 2.49 3.30 0.22 -1.42 0.52 -1.26 -4.33 118.94 118.47 1cur s TRP 7 Ca 0.63 0.54 0.04 0.00 0.02 0.00 0.00 56.10 57.33 1cur s TRP 7 Cb 0.17 -2.58 -0.01 0.00 -1.15 0.00 0.00 33.47 29.89 1cur s TRP 7 CO -0.07 -0.15 0.22 1.63 0.02 0.00 0.00 176.95 178.61 1cur n LYS 8 N 5.00 0.32 -4.05 4.98 5.02 -0.54 -5.04 118.16 123.86 1cur n LYS 8 Ca -0.08 -2.13 -0.17 0.00 -2.02 0.00 0.00 58.31 53.91 1cur n LYS 8 Cb 0.51 1.82 -0.16 0.00 -0.02 0.00 0.00 35.03 37.18 1cur n LYS 8 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1cur s GLU 9 N -2.81 0.48 0.00 1.97 8.01 -1.26 -0.68 118.70 124.41 1cur s GLU 9 Ca 0.25 -0.04 0.00 0.00 0.01 0.00 0.00 54.97 55.19 1cur s GLU 9 Cb 0.01 -0.56 0.00 0.00 -4.31 0.00 0.00 34.13 29.27 1cur s GLU 9 CO 0.18 -0.06 0.00 0.00 0.01 0.00 0.00 175.26 175.39 1cur n ALA 10 N 3.81 0.00 -2.34 5.21 0.00 0.79 -4.76 120.51 123.23 1cur n ALA 10 Ca -0.23 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.11 1cur n ALA 10 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 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 0.98 0.09 0.24 0.00 -4.23 -1.26 -0.42 115.64 111.05 1cur s THR 11 Ca 0.00 -1.73 -0.15 0.00 -1.18 0.00 0.00 61.69 58.63 1cur s THR 11 Cb 0.00 -1.96 0.30 0.00 1.34 0.00 0.00 72.50 72.18 1cur s THR 11 CO 0.00 -0.42 1.55 -0.11 -0.54 0.00 0.00 174.62 175.10 1cur n LEU 12 N -0.13 -0.57 0.08 4.79 0.00 -0.32 -0.10 117.00 120.75 1cur n LEU 12 Ca -0.06 1.73 0.12 0.00 0.00 0.00 0.00 56.01 57.80 1cur n LEU 12 Cb 0.63 -0.43 0.60 0.00 0.00 0.00 0.00 43.42 44.23 1cur n LEU 12 CO 0.28 -1.58 1.14 -0.65 0.00 0.00 0.00 177.39 176.58 1cur h PRO 13 N 0.00 0.14 -0.11 1.96 0.11 -1.98 -0.34 132.00 131.77 1cur h PRO 13 Ca 0.38 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.34 1cur h PRO 13 Cb 0.63 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1cur h PRO 13 CO -1.00 0.09 -0.55 1.96 -0.21 0.00 0.00 178.00 178.30 1cur h GLN 14 N 0.14 0.33 -0.12 1.05 4.20 -0.91 0.15 115.11 119.95 1cur h GLN 14 Ca 0.15 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1cur h GLN 14 Cb 0.43 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1cur h GLN 14 CO -0.02 0.79 0.05 0.28 -0.67 0.00 0.00 178.83 179.26 1cur h VAL 15 N 0.25 1.13 -0.65 -0.54 2.07 -0.78 0.03 116.25 117.77 1cur h VAL 15 Ca 0.00 -0.39 0.09 0.00 0.82 0.00 0.00 66.70 67.23 1cur h VAL 15 Cb 1.04 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 1cur h VAL 15 CO 0.09 0.12 0.29 0.11 0.02 0.00 0.00 177.57 178.19 1cur h LYS 16 N 0.05 0.48 -0.48 1.57 1.57 -1.09 0.34 116.57 119.01 1cur h LYS 16 Ca 0.04 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1cur h LYS 16 Cb 0.14 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.27 1cur h LYS 16 CO -0.00 0.32 0.05 0.00 -0.57 0.00 0.00 179.45 179.25 1cur h ALA 17 N 1.41 0.50 -0.03 3.86 0.00 -0.28 -1.66 119.26 123.05 1cur h ALA 17 Ca 0.32 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.24 1cur h ALA 17 Cb 0.36 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1cur h ALA 17 CO -0.28 -0.35 -0.50 0.52 0.00 0.00 0.00 179.25 178.64 1cur h MET 18 N 0.17 0.09 -2.91 0.00 2.86 0.03 -3.26 114.93 111.91 1cur h MET 18 Ca 0.24 -0.05 -0.45 0.00 -2.06 0.00 0.00 59.70 57.38 1cur h MET 18 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1cur h MET 18 CO -0.36 0.57 2.42 1.28 1.06 0.00 0.00 176.91 181.88 1cur n LEU 19 N -3.95 6.51 0.00 1.22 4.77 0.11 -1.67 117.00 123.99 1cur n LEU 19 Ca -0.02 -3.51 0.00 0.00 -0.03 0.00 0.00 56.01 52.45 1cur n LEU 19 Cb 0.52 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1cur n LEU 19 CO 0.41 1.46 -0.07 -0.62 -1.33 0.00 0.00 177.39 177.25 1cur n GLU 20 N 3.50 0.00 0.00 3.23 -0.58 -1.23 -4.92 120.64 120.63 1cur n GLU 20 Ca 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 1cur n GLU 20 Cb 0.34 -0.55 0.00 0.00 -0.57 0.00 0.00 31.44 30.66 1cur n GLU 20 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1cur n LYS 21 N -1.66 0.00 0.00 3.49 4.01 -0.67 -5.10 118.16 118.23 1cur n LYS 21 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1cur n LYS 21 Cb 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.59 1cur n LYS 21 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1cur n ASP 22 N -0.86 0.00 -4.53 4.39 -0.08 -1.26 -5.05 116.55 109.15 1cur n ASP 22 Ca 0.00 0.00 -0.54 0.00 -1.51 0.00 0.00 54.79 52.74 1cur n ASP 22 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1cur n ASP 22 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1cur n THR 23 N 0.00 0.33 0.00 5.18 -2.24 -1.25 -4.88 114.28 111.42 1cur n THR 23 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1cur n THR 23 Cb 0.00 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1cur n THR 23 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cur n GLY 24 N 1.96 0.74 3.74 3.38 0.00 -1.26 -4.70 105.19 109.05 1cur n GLY 24 Ca 0.18 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 1cur n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cur s LYS 25 N 0.00 4.76 0.53 1.61 1.02 0.68 -4.81 119.74 123.53 1cur s LYS 25 Ca 0.00 1.52 -0.22 0.00 0.02 0.00 0.00 55.97 57.30 1cur s LYS 25 Cb 0.00 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 1cur s LYS 25 CO 0.00 0.35 1.29 0.08 -0.92 0.00 0.00 175.35 176.15 1cur s VAL 26 N -0.69 2.42 -0.42 3.17 1.01 -1.26 -0.43 120.40 124.20 1cur s VAL 26 Ca 0.44 0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.81 1cur s VAL 26 Cb -0.26 -3.15 0.29 0.00 0.00 0.00 0.00 36.38 33.26 1cur s VAL 26 CO 0.32 -0.01 0.79 -1.20 0.00 0.00 0.00 175.10 175.00 1cur n SER 27 N -0.97 -0.81 0.00 3.32 7.64 0.71 -4.75 113.62 118.76 1cur n SER 27 Ca 0.10 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.84 1cur n SER 27 Cb 0.46 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 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 0.87 1.72 2.15 0.23 0.00 -1.26 -2.85 105.19 106.06 1cur n GLY 28 Ca 0.16 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 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 0.81 6.96 -3.49 1.61 2.03 -1.26 -4.70 116.55 118.51 1cur n ASP 29 Ca 0.00 -2.52 -0.15 0.00 0.52 0.00 0.00 54.79 52.64 1cur n ASP 29 Cb 0.00 -1.49 -0.04 0.00 -0.72 0.00 0.00 41.12 38.87 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 1.56 0.00 0.01 5.18 2.01 -1.13 -4.19 115.64 119.08 1cur s THR 30 Ca 0.68 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.76 1cur s THR 30 Cb 0.25 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 1cur s THR 30 CO -0.03 0.00 -0.22 -0.69 -0.69 0.00 0.00 174.62 172.99 1cur s VAL 31 N -2.15 1.74 -0.08 3.82 1.01 0.24 -0.21 120.40 124.77 1cur s VAL 31 Ca -0.06 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.89 1cur s VAL 31 Cb -0.00 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.92 1cur s VAL 31 CO 0.01 0.38 -0.16 -0.89 0.00 0.00 0.00 175.10 174.43 1cur s THR 32 N -0.63 1.45 0.50 3.92 2.01 0.43 -0.67 115.64 122.63 1cur s THR 32 Ca 0.08 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.44 1cur s THR 32 Cb -0.09 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.14 1cur s THR 32 CO 0.00 0.43 0.72 -0.31 -0.69 0.00 0.00 174.62 174.77 1cur s TYR 33 N 0.61 3.05 -0.45 4.92 2.02 -0.21 -0.23 117.35 127.06 1cur s TYR 33 Ca -0.15 0.12 0.07 0.00 -0.37 0.00 0.00 57.07 56.74 1cur s TYR 33 Cb -0.16 -2.53 0.31 0.00 -0.40 0.00 0.00 41.96 39.18 1cur s TYR 33 CO 0.05 -0.61 1.01 0.43 -1.57 0.00 0.00 175.55 174.86 1cur n SER 34 N -2.21 -1.85 -3.62 2.29 7.64 -1.26 -4.65 113.62 109.96 1cur n SER 34 Ca 0.05 -3.52 -0.02 0.00 1.01 0.00 0.00 58.87 56.39 1cur n SER 34 Cb 0.59 1.45 -0.01 0.00 -1.01 0.00 0.00 64.21 65.22 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 -1.51 -0.35 -0.08 0.23 0.00 -1.26 -5.07 107.32 99.28 1cur s GLY 35 Ca 0.27 0.88 -0.27 0.00 0.00 0.00 0.00 44.72 45.59 1cur s GLY 35 CO -0.08 0.24 0.98 0.50 0.00 0.00 0.00 173.10 174.73 1cur h LYS 36 N 2.00 -0.01 -6.19 2.90 1.79 -1.94 -3.39 116.57 111.73 1cur h LYS 36 Ca -0.22 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.67 1cur h LYS 36 Cb 1.20 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.76 1cur h LYS 36 CO 0.27 0.72 1.33 0.95 -1.08 0.00 0.00 179.45 181.64 1cur s THR 37 N -3.15 3.84 -0.75 -0.16 -4.23 -1.26 -0.28 115.64 109.64 1cur s THR 37 Ca -0.17 -0.33 -0.25 0.00 -1.18 0.00 0.00 61.69 59.76 1cur s THR 37 Cb -0.01 -4.99 0.05 0.00 1.34 0.00 0.00 72.50 68.89 1cur s THR 37 CO 0.66 -1.89 1.20 -0.69 -0.54 0.00 0.00 174.62 173.35 1cur s VAL 38 N 5.33 3.96 -0.33 2.29 1.01 0.12 -4.90 120.40 127.89 1cur s VAL 38 Ca 0.42 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.20 1cur s VAL 38 Cb -0.03 -4.86 -0.01 0.00 0.00 0.00 0.00 36.38 31.48 1cur s VAL 38 CO -0.01 -1.73 0.48 -2.28 0.00 0.00 0.00 175.10 171.56 1cur s HIS 39 N 5.03 3.20 -0.19 5.22 2.46 -1.26 -0.15 115.29 129.60 1cur s HIS 39 Ca 0.32 0.23 -0.02 0.00 0.47 0.00 0.00 55.06 56.06 1cur s HIS 39 Cb -0.10 -2.84 -0.01 0.00 -0.13 0.00 0.00 32.58 29.51 1cur s HIS 39 CO 0.10 -0.47 -0.09 0.08 -2.47 0.00 0.00 174.74 171.89 1cur s VAL 40 N 2.31 3.08 -0.37 0.89 1.01 0.08 -3.96 120.40 123.44 1cur s VAL 40 Ca 0.18 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 1cur s VAL 40 Cb -0.16 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1cur s VAL 40 CO 0.12 0.47 0.59 -0.69 0.00 0.00 0.00 175.10 175.59 1cur s VAL 41 N 1.17 4.93 -0.50 2.92 1.01 -1.26 -0.19 120.40 128.47 1cur s VAL 41 Ca 0.02 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1cur s VAL 41 Cb -0.14 -4.06 0.13 0.00 0.00 0.00 0.00 36.38 32.31 1cur s VAL 41 CO -0.03 -0.33 0.26 0.00 0.00 0.00 0.00 175.10 175.00 1cur s ALA 42 N 2.60 3.28 -0.38 5.51 0.00 0.31 -0.30 121.76 132.79 1cur s ALA 42 Ca 0.22 -3.09 -0.22 0.00 0.00 0.00 0.00 51.96 48.87 1cur s ALA 42 Cb -0.15 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.73 1cur s ALA 42 CO 0.15 -1.96 0.71 0.00 0.00 0.00 0.00 175.76 174.66 1cur s ALA 43 N 0.08 3.41 -0.36 0.00 0.00 0.11 -0.53 121.76 124.47 1cur s ALA 43 Ca 0.15 -0.83 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 1cur s ALA 43 Cb -0.23 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1cur s ALA 43 CO -0.03 -1.51 0.75 0.00 0.00 0.00 0.00 175.76 174.97 1cur s ALA 44 N 2.94 3.44 -0.34 0.00 0.00 0.18 -0.26 121.76 127.71 1cur s ALA 44 Ca 0.28 -0.69 -0.20 0.00 0.00 0.00 0.00 51.96 51.34 1cur s ALA 44 Cb -0.14 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.69 1cur s ALA 44 CO 0.17 -1.45 0.42 0.28 0.00 0.00 0.00 175.76 175.18 1cur n VAL 45 N 5.75 -2.38 -2.60 0.00 0.31 -1.19 -4.14 118.33 114.08 1cur n VAL 45 Ca 0.02 0.03 -0.39 0.00 -0.01 0.00 0.00 64.34 64.00 1cur n VAL 45 Cb 0.48 -2.16 -0.05 0.00 -0.91 0.00 0.00 33.84 31.20 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 -2.10 4.45 -0.27 7.52 1.43 -1.26 -4.29 118.68 124.16 1cur s LEU 46 Ca 0.20 2.08 -0.31 0.00 -1.03 0.00 0.00 54.13 55.06 1cur s LEU 46 Cb -0.02 -3.81 -0.08 0.00 0.03 0.00 0.00 46.19 42.31 1cur s LEU 46 CO 0.57 -0.14 2.20 -0.81 0.23 0.00 0.00 176.35 178.40 1cur n PRO 47 N 0.88 1.61 0.00 1.29 -0.04 -1.26 -0.73 135.00 136.75 1cur n PRO 47 Ca 0.01 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1cur n PRO 47 Cb 0.47 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 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 6.04 4.40 3.77 0.55 0.00 -1.26 -5.11 105.19 113.59 1cur n GLY 48 Ca 0.34 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 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 3.91 0.78 1.61 0.08 0.09 -5.07 117.98 119.39 1cur s PHE 49 Ca 0.00 1.70 -0.11 0.00 0.12 0.00 0.00 56.93 58.64 1cur s PHE 49 Cb 0.00 -2.82 0.06 0.00 -0.57 0.00 0.00 43.02 39.69 1cur s PHE 49 CO 0.00 0.49 1.10 -1.25 -0.10 0.00 0.00 175.22 175.45 1cur s PRO 50 N -1.22 2.19 0.89 0.24 0.04 -1.26 -4.62 135.00 131.25 1cur s PRO 50 Ca 0.38 0.59 -0.12 0.00 0.04 0.00 0.00 61.00 61.89 1cur s PRO 50 Cb -0.23 -1.94 0.12 0.00 0.04 0.00 0.00 34.50 32.49 1cur s PRO 50 CO 0.27 -1.53 1.10 -0.06 0.04 0.00 0.00 177.00 176.82 1cur s PHE 51 N -3.20 2.46 -0.52 0.56 0.40 -1.26 -4.14 117.98 112.27 1cur s PHE 51 Ca 0.60 1.13 0.04 0.00 -0.60 0.00 0.00 56.93 58.10 1cur s PHE 51 Cb -0.14 -3.20 0.40 0.00 0.51 0.00 0.00 43.02 40.60 1cur s PHE 51 CO 0.54 -2.29 1.25 -0.35 0.70 0.00 0.00 175.22 175.07 1cur n PRO 52 N -3.78 3.34 -3.37 0.24 -0.04 -1.26 -5.11 135.00 125.03 1cur n PRO 52 Ca 0.07 -4.39 -0.38 0.00 -0.04 0.00 0.00 63.50 58.76 1cur n PRO 52 Cb 0.56 -2.26 -0.06 0.00 -0.04 0.00 0.00 33.50 31.70 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 -3.13 6.60 -0.16 3.54 1.04 -1.26 -2.23 113.70 118.10 1cur s SER 53 Ca 0.49 0.71 -0.29 0.00 0.48 0.00 0.00 55.95 57.33 1cur s SER 53 Cb 0.39 -2.26 -0.01 0.00 0.10 0.00 0.00 66.02 64.25 1cur s SER 53 CO -0.22 0.01 1.12 -0.36 0.98 0.00 0.00 173.24 174.77 1cur s PHE 54 N 0.70 3.20 -0.37 5.02 0.08 -1.26 -3.13 117.98 122.22 1cur s PHE 54 Ca 0.23 1.32 -0.20 0.00 0.12 0.00 0.00 56.93 58.40 1cur s PHE 54 Cb -0.15 -3.35 0.00 0.00 -0.57 0.00 0.00 43.02 38.96 1cur s PHE 54 CO 0.08 -0.92 0.60 -1.21 -0.10 0.00 0.00 175.22 173.68 1cur s GLU 55 N 2.94 3.59 -0.19 0.44 2.02 0.64 -0.31 118.70 127.83 1cur s GLU 55 Ca 0.50 -0.08 0.01 0.00 0.02 0.00 0.00 54.97 55.42 1cur s GLU 55 Cb -0.19 -3.83 0.03 0.00 0.10 0.00 0.00 34.13 30.24 1cur s GLU 55 CO 0.13 -0.75 -0.17 0.08 0.02 0.00 0.00 175.26 174.56 1cur s VAL 56 N 2.63 2.02 0.00 2.63 1.01 0.40 0.08 120.40 129.16 1cur s VAL 56 Ca 0.22 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1cur s VAL 56 Cb -0.15 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1cur s VAL 56 CO 0.15 0.40 0.00 0.00 0.00 0.00 0.00 175.10 175.65 1cur n HIS 57 N 4.60 0.00 0.36 5.22 1.44 0.59 -0.48 115.22 126.95 1cur n HIS 57 Ca -0.19 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.64 1cur n HIS 57 Cb 0.48 0.00 0.18 0.00 0.12 0.00 0.00 29.99 30.78 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 -2.16 4.39 1.82 -1.91 -3.48 116.42 115.08 1cur h ASP 58 Ca 0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 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 0.02 0.00 0.29 -1.61 0.00 0.00 179.24 177.94 1cur n LYS 59 N -2.59 2.03 -4.00 0.28 4.76 0.37 -5.15 118.16 113.85 1cur n LYS 59 Ca 0.03 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.25 1cur n LYS 59 Cb 0.49 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.51 1cur n LYS 59 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1cur s LYS 60 N -1.08 0.87 -1.45 1.97 1.02 -1.26 -0.45 119.74 119.36 1cur s LYS 60 Ca 0.00 -0.06 -0.08 0.00 0.02 0.00 0.00 55.97 55.85 1cur s LYS 60 Cb 0.00 -1.01 0.05 0.00 -0.52 0.00 0.00 37.83 36.35 1cur s LYS 60 CO 0.00 -0.18 0.84 0.09 -0.92 0.00 0.00 175.35 175.17 1cur n ASN 61 N 4.57 -3.17 -4.52 2.83 3.02 0.58 -4.88 115.26 113.68 1cur n ASN 61 Ca -0.16 -0.82 -0.29 0.00 -0.03 0.00 0.00 54.58 53.27 1cur n ASN 61 Cb 0.50 -3.84 0.14 0.00 -0.61 0.00 0.00 39.78 35.97 1cur n ASN 61 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1cur s PRO 62 N -6.41 1.22 -0.01 3.52 0.04 -1.26 -4.58 135.00 127.52 1cur s PRO 62 Ca 0.39 -0.11 -0.13 0.00 0.04 0.00 0.00 61.00 61.20 1cur s PRO 62 Cb -0.20 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1cur s PRO 62 CO 0.83 -2.07 0.36 0.99 0.04 0.00 0.00 177.00 177.15 1cur s THR 63 N -3.67 5.12 -0.20 1.26 2.01 -1.26 -3.89 115.64 115.01 1cur s THR 63 Ca 0.68 0.68 -0.02 0.00 0.31 0.00 0.00 61.69 63.33 1cur s THR 63 Cb -0.08 -3.65 -0.00 0.00 0.01 0.00 0.00 72.50 68.78 1cur s THR 63 CO 0.51 0.55 -0.08 -0.76 -0.69 0.00 0.00 174.62 174.15 1cur s LEU 64 N -1.18 2.73 -0.37 4.42 1.02 0.37 -0.59 118.68 125.07 1cur s LEU 64 Ca 0.23 -0.43 -0.12 0.00 0.02 0.00 0.00 54.13 53.84 1cur s LEU 64 Cb -0.16 -1.67 0.02 0.00 0.02 0.00 0.00 46.19 44.40 1cur s LEU 64 CO 0.12 0.01 0.22 -1.61 0.02 0.00 0.00 176.35 175.11 1cur s GLU 65 N 1.28 2.94 -0.09 1.70 0.41 0.15 -0.37 118.70 124.72 1cur s GLU 65 Ca 0.03 -1.01 0.01 0.00 -0.41 0.00 0.00 54.97 53.59 1cur s GLU 65 Cb -0.14 -3.76 -0.02 0.00 -1.78 0.00 0.00 34.13 28.43 1cur s GLU 65 CO -0.04 -0.66 -0.11 0.42 -0.49 0.00 0.00 175.26 174.38 1cur s ILE 66 N 1.59 3.32 -0.27 -1.63 1.01 0.33 -1.05 121.20 124.50 1cur s ILE 66 Ca 0.03 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 1cur s ILE 66 Cb -0.19 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.92 1cur s ILE 66 CO 0.07 0.56 1.24 -2.16 0.00 0.00 0.00 174.94 174.65 1cur s PRO 67 N -0.26 4.03 0.18 2.79 0.04 -1.26 -0.46 135.00 140.06 1cur s PRO 67 Ca 0.02 1.31 -0.33 0.00 0.04 0.00 0.00 61.00 62.05 1cur s PRO 67 Cb -0.13 -3.82 -0.15 0.00 0.04 0.00 0.00 34.50 30.45 1cur s PRO 67 CO 0.03 -0.96 1.30 0.00 0.04 0.00 0.00 177.00 177.40 1cur n ALA 68 N 7.20 -0.01 0.00 8.56 0.00 0.26 -1.46 120.51 135.06 1cur n ALA 68 Ca 0.14 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1cur n ALA 68 Cb 0.46 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 2.25 2.31 3.73 0.00 0.00 -1.26 -4.99 105.19 107.23 1cur n GLY 69 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.34 2.16 -0.17 4.61 0.00 -0.53 -4.99 121.76 120.50 1cur s ALA 70 Ca 0.00 0.86 -0.06 0.00 0.00 0.00 0.00 51.96 52.75 1cur s ALA 70 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1cur s ALA 70 CO 0.00 -1.81 0.04 0.99 0.00 0.00 0.00 175.76 174.98 1cur s THR 71 N -2.00 4.56 -0.56 0.00 2.01 0.61 -4.30 115.64 115.96 1cur s THR 71 Ca 0.74 -0.12 -0.15 0.00 0.31 0.00 0.00 61.69 62.47 1cur s THR 71 Cb -0.28 -3.04 0.14 0.00 0.01 0.00 0.00 72.50 69.32 1cur s THR 71 CO 0.45 0.47 0.51 -0.69 -0.69 0.00 0.00 174.62 174.67 1cur s VAL 72 N 0.33 5.16 -0.87 3.82 1.01 0.59 -0.70 120.40 129.73 1cur s VAL 72 Ca 0.01 -1.59 -0.22 0.00 0.00 0.00 0.00 61.98 60.18 1cur s VAL 72 Cb -0.13 -4.31 0.08 0.00 0.00 0.00 0.00 36.38 32.02 1cur s VAL 72 CO 0.01 -0.87 1.22 -1.81 0.00 0.00 0.00 175.10 173.65 1cur s ASP 73 N 3.42 6.42 -0.69 3.32 1.11 0.79 -0.28 116.67 130.76 1cur s ASP 73 Ca 0.04 -1.37 -0.25 0.00 0.18 0.00 0.00 52.55 51.15 1cur s ASP 73 Cb -0.28 -2.49 0.05 0.00 1.07 0.00 0.00 42.92 41.27 1cur s ASP 73 CO 0.02 -1.42 1.12 -0.69 1.18 0.00 0.00 175.17 175.38 1cur s VAL 74 N 4.22 4.04 -0.67 -1.27 1.01 0.21 -0.74 120.40 127.20 1cur s VAL 74 Ca 0.35 0.09 -0.23 0.00 0.00 0.00 0.00 61.98 62.19 1cur s VAL 74 Cb -0.06 -4.78 0.06 0.00 0.00 0.00 0.00 36.38 31.60 1cur s VAL 74 CO -0.02 -1.62 1.02 -0.89 0.00 0.00 0.00 175.10 173.59 1cur s THR 75 N 4.86 4.23 0.58 3.92 2.01 0.73 -1.12 115.64 130.85 1cur s THR 75 Ca 0.29 -0.23 -0.15 0.00 0.31 0.00 0.00 61.69 61.92 1cur s THR 75 Cb -0.12 -4.72 -0.05 0.00 0.01 0.00 0.00 72.50 67.62 1cur s THR 75 CO 0.14 -1.52 1.03 -0.36 -0.69 0.00 0.00 174.62 173.22 1cur s PHE 76 N 4.34 3.21 -0.35 4.92 0.08 0.19 -0.53 117.98 129.84 1cur s PHE 76 Ca 0.24 1.47 -0.00 0.00 0.12 0.00 0.00 56.93 58.76 1cur s PHE 76 Cb -0.15 -2.90 0.13 0.00 -0.57 0.00 0.00 43.02 39.53 1cur s PHE 76 CO 0.11 -0.84 0.19 0.42 -0.10 0.00 0.00 175.22 175.00 1cur s ILE 77 N -2.64 0.33 -0.28 0.64 1.09 0.31 -2.95 121.20 117.71 1cur s ILE 77 Ca 0.61 -1.66 -0.03 0.00 -1.10 0.00 0.00 60.65 58.47 1cur s ILE 77 Cb -0.13 -1.25 0.03 0.00 -1.06 0.00 0.00 42.46 40.04 1cur s ILE 77 CO 0.39 -0.91 -0.01 0.21 -0.10 0.00 0.00 174.94 174.51 1cur s ASN 78 N 1.17 4.68 -0.32 3.58 2.47 0.16 -0.65 114.94 126.03 1cur s ASN 78 Ca 0.16 -0.98 0.17 0.00 0.42 0.00 0.00 52.86 52.64 1cur s ASN 78 Cb -0.22 -1.73 0.46 0.00 -1.45 0.00 0.00 41.25 38.31 1cur s ASN 78 CO -0.07 -0.19 1.15 0.41 -3.72 0.00 0.00 177.10 174.68 1cur n THR 79 N 4.70 0.76 -1.56 -5.21 -1.04 -1.26 -3.66 114.28 107.01 1cur n THR 79 Ca -0.15 -2.47 -0.42 0.00 -2.04 0.00 0.00 64.05 58.97 1cur n THR 79 Cb 0.46 0.95 -0.03 0.00 -1.82 0.00 0.00 70.33 69.90 1cur n THR 79 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1cur n ASN 80 N -0.50 3.35 0.00 8.00 2.85 -1.26 -4.73 115.26 122.97 1cur n ASN 80 Ca 0.03 -2.77 0.00 0.00 -0.11 0.00 0.00 54.58 51.72 1cur n ASN 80 Cb 0.83 -1.45 0.00 0.00 1.24 0.00 0.00 39.78 40.40 1cur n ASN 80 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1cur n LYS 81 N 6.69 0.00 0.00 1.20 5.02 -1.26 -0.84 118.16 128.97 1cur n LYS 81 Ca 0.51 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1cur n LYS 81 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 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 0.00 3.99 3.50 0.72 0.00 -1.26 -5.09 105.19 107.05 1cur n GLY 82 Ca 0.00 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1cur n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 83 N 0.00 3.19 -0.59 1.61 0.40 -0.02 -4.97 117.98 117.60 1cur s PHE 83 Ca 0.00 -0.27 -0.06 0.00 -0.60 0.00 0.00 56.93 56.00 1cur s PHE 83 Cb 0.00 -2.77 -0.13 0.00 0.51 0.00 0.00 43.02 40.63 1cur s PHE 83 CO 0.00 -0.59 2.62 0.41 0.70 0.00 0.00 175.22 178.36 1cur n GLY 84 N 5.06 3.00 3.56 4.36 0.00 -1.26 -4.44 105.19 115.47 1cur n GLY 84 Ca -0.08 -0.99 -0.45 0.00 0.00 0.00 0.00 46.02 44.49 1cur n GLY 84 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1cur n HIS 85 N 3.29 0.99 -3.66 1.61 8.25 -1.26 -1.98 115.22 122.47 1cur n HIS 85 Ca 0.45 0.75 -0.20 0.00 -0.26 0.00 0.00 57.72 58.45 1cur n HIS 85 Cb 0.42 -2.20 -0.03 0.00 1.12 0.00 0.00 29.99 29.30 1cur n HIS 85 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1cur s SER 86 N -0.62 5.44 -0.14 0.41 1.04 -1.26 -3.40 113.70 115.17 1cur s SER 86 Ca 0.60 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 56.57 1cur s SER 86 Cb -0.74 -0.97 0.04 0.00 0.10 0.00 0.00 66.02 64.45 1cur s SER 86 CO 0.59 -0.43 -0.03 0.12 0.98 0.00 0.00 173.24 174.47 1cur s PHE 87 N -2.30 1.35 -0.05 5.02 2.19 -1.26 -4.22 117.98 118.71 1cur s PHE 87 Ca 0.44 -0.79 0.01 0.00 0.33 0.00 0.00 56.93 56.92 1cur s PHE 87 Cb -0.07 -1.15 0.02 0.00 -1.31 0.00 0.00 43.02 40.51 1cur s PHE 87 CO 0.28 -0.53 -0.06 -0.51 1.83 0.00 0.00 175.22 176.22 1cur s ASP 88 N 1.75 1.13 -0.15 6.13 1.11 0.51 -0.45 116.67 126.71 1cur s ASP 88 Ca 0.02 -0.17 -0.06 0.00 0.18 0.00 0.00 52.55 52.53 1cur s ASP 88 Cb -0.14 -0.54 -0.04 0.00 1.07 0.00 0.00 42.92 43.27 1cur s ASP 88 CO -0.07 -0.03 0.05 -0.63 1.18 0.00 0.00 175.17 175.67 1cur s ILE 89 N 0.84 4.71 0.00 0.77 1.01 0.73 -0.61 121.20 128.64 1cur s ILE 89 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1cur s ILE 89 Cb -0.15 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1cur s ILE 89 CO 0.01 0.52 0.00 1.07 0.00 0.00 0.00 174.94 176.55 1cur n THR 90 N 2.94 0.00 -1.47 2.92 5.66 0.07 -0.91 114.28 123.48 1cur n THR 90 Ca -0.18 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 60.89 1cur n THR 90 Cb 0.53 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.41 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 0.90 -2.17 1.09 5.02 -1.26 -0.15 118.16 121.59 1cur n LYS 91 Ca 0.00 -2.22 -0.43 0.00 -2.02 0.00 0.00 58.31 53.65 1cur n LYS 91 Cb 0.00 -1.16 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.98 4.11 0.61 1.97 -0.14 -1.26 -4.83 119.74 118.22 1cur s LYS 92 Ca 0.24 1.89 -0.12 0.00 -1.36 0.00 0.00 55.97 56.63 1cur s LYS 92 Cb 0.22 -3.92 -0.04 0.00 -1.68 0.00 0.00 37.83 32.41 1cur s LYS 92 CO -0.00 -0.90 1.02 0.20 -0.76 0.00 0.00 175.35 174.91 1cur s GLY 93 N 3.07 1.71 0.84 -3.33 0.00 -1.26 -4.64 107.32 103.70 1cur s GLY 93 Ca 0.67 -0.06 -0.11 0.00 0.00 0.00 0.00 44.72 45.21 1cur s GLY 93 CO 0.24 0.21 1.09 2.56 0.00 0.00 0.00 173.10 177.21 1cur s PRO 94 N -5.04 1.76 0.33 2.90 0.04 -1.26 -4.46 135.00 129.28 1cur s PRO 94 Ca 0.55 0.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.07 1cur s PRO 94 Cb -0.11 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1cur s PRO 94 CO 0.51 -1.87 1.17 -2.14 0.04 0.00 0.00 177.00 174.71 1cur s PRO 95 N -5.05 4.38 0.45 0.56 0.02 -1.26 -5.14 135.00 128.95 1cur s PRO 95 Ca 0.62 1.91 -0.20 0.00 0.02 0.00 0.00 61.00 63.34 1cur s PRO 95 Cb -0.16 -2.98 -0.10 0.00 0.02 0.00 0.00 34.50 31.28 1cur s PRO 95 CO 0.55 -0.06 0.96 0.71 -0.33 0.00 0.00 177.00 178.83 1cur s TYR 96 N -1.25 3.33 0.44 6.54 2.02 -1.26 -5.06 117.35 122.11 1cur s TYR 96 Ca 0.50 1.58 -0.18 0.00 -0.37 0.00 0.00 57.07 58.60 1cur s TYR 96 Cb -0.33 -2.84 -0.09 0.00 -0.40 0.00 0.00 41.96 38.29 1cur s TYR 96 CO 0.43 -0.17 0.91 0.00 -1.57 0.00 0.00 175.55 175.15 1cur s ALA 97 N -2.26 3.12 0.26 3.71 0.00 -1.26 -4.23 121.76 121.09 1cur s ALA 97 Ca 0.61 0.22 -0.05 0.00 0.00 0.00 0.00 51.96 52.74 1cur s ALA 97 Cb -0.09 -3.04 0.30 0.00 0.00 0.00 0.00 23.12 20.29 1cur s ALA 97 CO 0.17 0.02 1.90 0.28 0.00 0.00 0.00 175.76 178.12 1cur h VAL 98 N 1.50 1.24 -3.47 0.00 2.07 -1.97 -3.37 116.25 112.25 1cur h VAL 98 Ca -0.48 -0.56 -0.52 0.00 0.82 0.00 0.00 66.70 65.96 1cur h VAL 98 Cb 1.18 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1cur h VAL 98 CO 0.62 0.26 0.42 -0.04 0.02 0.00 0.00 177.57 178.85 1cur s MET 99 N -5.85 4.60 -1.14 1.57 -1.94 -1.26 -0.45 119.30 114.84 1cur s MET 99 Ca -0.12 1.55 -0.20 0.00 -1.71 0.00 0.00 55.69 55.21 1cur s MET 99 Cb 0.17 -3.37 -0.05 0.00 2.01 0.00 0.00 34.83 33.59 1cur s MET 99 CO 0.81 0.05 1.94 -0.35 -0.01 0.00 0.00 175.02 177.46 1cur n PRO 100 N 3.13 2.13 -1.48 2.03 -0.04 -1.26 -4.79 135.00 134.71 1cur n PRO 100 Ca 0.04 -2.49 -0.40 0.00 -0.04 0.00 0.00 63.50 60.61 1cur n PRO 100 Cb 0.49 -3.38 -0.02 0.00 -0.04 0.00 0.00 33.50 30.55 1cur n PRO 100 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1cur n VAL 101 N 6.55 3.66 -0.02 0.52 0.31 -1.26 -4.52 118.33 123.57 1cur n VAL 101 Ca 0.48 -2.68 -0.22 0.00 -0.01 0.00 0.00 64.34 61.92 1cur n VAL 101 Cb 0.43 -2.57 -0.13 0.00 -0.91 0.00 0.00 33.84 30.66 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 3.60 0.85 -4.03 2.52 -0.00 -1.98 -3.48 117.51 114.99 1cur h ILE 102 Ca 0.68 -2.33 -0.53 0.00 -0.00 0.00 0.00 64.86 62.68 1cur h ILE 102 Cb 0.47 2.52 0.11 0.00 -0.00 0.00 0.00 36.82 39.93 1cur h ILE 102 CO 1.83 0.69 0.56 -1.81 -0.00 0.00 0.00 178.15 179.41 1cur s ASP 103 N -7.00 5.60 0.33 2.16 1.11 -1.26 -4.20 116.67 113.40 1cur s ASP 103 Ca -0.23 2.58 -0.27 0.00 0.18 0.00 0.00 52.55 54.81 1cur s ASP 103 Cb 0.06 -2.62 -0.09 0.00 1.07 0.00 0.00 42.92 41.33 1cur s ASP 103 CO 0.73 -1.33 1.01 -2.16 1.18 0.00 0.00 175.17 174.60 1cur s PRO 104 N -2.84 4.51 0.10 8.23 0.04 -1.26 -5.12 135.00 138.65 1cur s PRO 104 Ca 0.69 1.51 -0.14 0.00 0.04 0.00 0.00 61.00 63.10 1cur s PRO 104 Cb -0.36 -2.87 -0.06 0.00 0.04 0.00 0.00 34.50 31.25 1cur s PRO 104 CO 0.42 0.17 0.50 0.42 0.04 0.00 0.00 177.00 178.55 1cur s ILE 105 N -1.47 4.92 0.00 0.56 -1.09 -1.26 -4.76 121.20 118.10 1cur s ILE 105 Ca 0.50 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1cur s ILE 105 Cb -0.24 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 1cur s ILE 105 CO 0.30 0.35 0.00 0.52 -1.23 0.00 0.00 174.94 174.88 1cur n VAL 106 N 1.11 0.00 -3.63 2.92 0.31 -0.09 -4.96 118.33 113.99 1cur n VAL 106 Ca -0.08 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.91 1cur n VAL 106 Cb 0.52 -0.14 -0.05 0.00 -0.91 0.00 0.00 33.84 33.26 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 3.76 -0.24 3.52 0.00 -1.20 -4.98 121.76 118.62 1cur s ALA 107 Ca 0.00 -0.45 -0.37 0.00 0.00 0.00 0.00 51.96 51.14 1cur s ALA 107 Cb 0.00 -2.20 0.15 0.00 0.00 0.00 0.00 23.12 21.07 1cur s ALA 107 CO 0.00 0.60 1.35 0.20 0.00 0.00 0.00 175.76 177.91 1cur s GLY 108 N -1.84 -0.26 0.06 0.00 0.00 -1.26 -0.20 107.32 103.82 1cur s GLY 108 Ca 0.33 1.70 0.01 0.00 0.00 0.00 0.00 44.72 46.76 1cur s GLY 108 CO 0.18 0.55 0.13 -0.51 0.00 0.00 0.00 173.10 173.46 1cur s THR 109 N -2.12 4.92 0.00 0.90 -4.23 0.40 -0.17 115.64 115.34 1cur s THR 109 Ca 0.12 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 1cur s THR 109 Cb 0.00 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.48 1cur s THR 109 CO -0.03 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 1cur n GLY 110 N 0.51 -0.53 3.75 3.99 0.00 -1.26 -4.02 105.19 107.63 1cur n GLY 110 Ca -0.08 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 1cur n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 111 N 0.00 3.60 0.66 1.61 0.08 -1.26 -4.14 117.98 118.53 1cur s PHE 111 Ca 0.00 1.68 -0.10 0.00 0.12 0.00 0.00 56.93 58.63 1cur s PHE 111 Cb 0.00 -3.27 0.01 0.00 -0.57 0.00 0.00 43.02 39.18 1cur s PHE 111 CO 0.00 -0.53 1.03 -1.54 -0.10 0.00 0.00 175.22 174.08 1cur s SER 112 N -0.73 5.60 1.01 1.36 1.04 -0.84 -4.98 113.70 116.17 1cur s SER 112 Ca 0.45 1.06 -0.12 0.00 0.48 0.00 0.00 55.95 57.83 1cur s SER 112 Cb -0.31 -1.95 0.20 0.00 0.10 0.00 0.00 66.02 64.05 1cur s SER 112 CO 0.39 -1.20 1.08 -2.16 0.98 0.00 0.00 173.24 172.33 1cur s PRO 113 N -5.24 0.29 -0.54 4.02 0.04 -1.26 -4.48 135.00 127.83 1cur s PRO 113 Ca 0.56 0.91 0.05 0.00 0.04 0.00 0.00 61.00 62.57 1cur s PRO 113 Cb -0.11 -1.69 0.20 0.00 0.04 0.00 0.00 34.50 32.94 1cur s PRO 113 CO 0.50 -2.93 0.48 0.28 0.04 0.00 0.00 177.00 175.38 1cur n VAL 114 N -4.37 0.34 -0.80 -0.36 0.31 -1.26 -4.78 118.33 107.41 1cur n VAL 114 Ca 0.06 -4.26 -0.30 0.00 -0.01 0.00 0.00 64.34 59.82 1cur n VAL 114 Cb 0.55 -1.94 0.17 0.00 -0.91 0.00 0.00 33.84 31.70 1cur n VAL 114 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1cur s PRO 115 N -1.04 0.87 0.00 5.55 0.02 -1.26 -4.79 135.00 134.34 1cur s PRO 115 Ca 0.32 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.64 1cur s PRO 115 Cb 0.05 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.85 1cur s PRO 115 CO -0.15 -2.65 0.37 1.63 -0.33 0.00 0.00 177.00 175.87 1cur n LYS 116 N -4.23 0.19 -3.62 5.54 5.02 -1.26 -4.45 118.16 115.36 1cur n LYS 116 Ca 0.09 -0.41 -0.06 0.00 -2.02 0.00 0.00 58.31 55.92 1cur n LYS 116 Cb 0.53 -0.57 -0.05 0.00 -0.02 0.00 0.00 35.03 34.92 1cur n LYS 116 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1cur s ASP 117 N -0.08 -0.19 0.00 4.39 3.68 -1.26 -5.05 116.67 118.15 1cur s ASP 117 Ca 0.00 0.23 0.00 0.00 2.13 0.00 0.00 52.55 54.91 1cur s ASP 117 Cb 0.00 0.18 0.00 0.00 -1.45 0.00 0.00 42.92 41.65 1cur s ASP 117 CO 0.00 -0.16 0.00 0.61 0.13 0.00 0.00 175.17 175.75 1cur n GLY 118 N 0.75 0.37 3.82 2.66 0.00 -1.26 -4.83 105.19 106.70 1cur n GLY 118 Ca -0.05 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 4.04 -0.28 1.61 1.02 -1.26 -1.17 119.74 123.70 1cur s LYS 119 Ca 0.00 1.11 -0.02 0.00 0.02 0.00 0.00 55.97 57.08 1cur s LYS 119 Cb 0.00 -2.15 0.09 0.00 -0.52 0.00 0.00 37.83 35.25 1cur s LYS 119 CO 0.00 -0.19 0.09 -0.06 -0.92 0.00 0.00 175.35 174.27 1cur s PHE 120 N -2.30 1.18 -0.30 3.18 0.40 0.44 -4.65 117.98 115.94 1cur s PHE 120 Ca 0.62 -1.32 -0.35 0.00 -0.60 0.00 0.00 56.93 55.28 1cur s PHE 120 Cb -0.11 -1.35 -0.11 0.00 0.51 0.00 0.00 43.02 41.96 1cur s PHE 120 CO 0.20 -0.81 2.11 0.41 0.70 0.00 0.00 175.22 177.83 1cur n GLY 121 N 5.00 0.70 3.22 4.36 0.00 -1.24 -0.15 105.19 117.08 1cur n GLY 121 Ca -0.04 0.91 -0.17 0.00 0.00 0.00 0.00 46.02 46.72 1cur n GLY 121 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1cur s TYR 122 N 6.62 1.28 -0.25 1.61 1.13 0.14 -0.66 117.35 127.22 1cur s TYR 122 Ca 1.06 -0.60 -0.05 0.00 -1.41 0.00 0.00 57.07 56.07 1cur s TYR 122 Cb -0.81 -0.68 0.13 0.00 -1.10 0.00 0.00 41.96 39.50 1cur s TYR 122 CO 0.50 0.10 0.48 0.99 -2.51 0.00 0.00 175.55 175.11 1cur s THR 123 N -2.31 -0.77 -1.26 -3.49 2.01 -1.15 -1.47 115.64 107.20 1cur s THR 123 Ca 0.08 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 1cur s THR 123 Cb -0.04 -0.84 0.17 0.00 0.01 0.00 0.00 72.50 71.80 1cur s THR 123 CO 0.02 -0.02 2.15 0.47 -0.69 0.00 0.00 174.62 176.55 1cur n ASP 124 N 5.40 7.29 -4.67 3.53 8.00 -1.25 -0.64 116.55 134.21 1cur n ASP 124 Ca -0.06 -3.23 -0.42 0.00 0.71 0.00 0.00 54.79 51.79 1cur n ASP 124 Cb 0.50 -1.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.22 1cur n ASP 124 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1cur s PHE 125 N -1.43 2.49 -1.01 1.24 -0.71 -0.28 -4.72 117.98 113.57 1cur s PHE 125 Ca 0.48 0.60 -0.13 0.00 -1.04 0.00 0.00 56.93 56.84 1cur s PHE 125 Cb 0.16 -3.73 0.22 0.00 -1.21 0.00 0.00 43.02 38.46 1cur s PHE 125 CO -0.07 -2.87 1.06 0.99 -1.34 0.00 0.00 175.22 172.99 1cur s THR 126 N 3.33 5.55 -0.10 -4.49 2.01 -1.26 -0.62 115.64 120.06 1cur s THR 126 Ca 0.66 -2.74 -0.30 0.00 0.31 0.00 0.00 61.69 59.62 1cur s THR 126 Cb -0.30 -4.64 -0.02 0.00 0.01 0.00 0.00 72.50 67.56 1cur s THR 126 CO 0.25 -1.25 1.08 0.86 -0.69 0.00 0.00 174.62 174.87 1cur s TRP 127 N 0.20 3.37 -0.49 4.92 -0.00 0.61 -4.87 118.94 122.68 1cur s TRP 127 Ca 0.29 1.44 -0.19 0.00 -0.00 0.00 0.00 56.10 57.64 1cur s TRP 127 Cb -0.08 -3.28 0.05 0.00 -0.00 0.00 0.00 33.47 30.16 1cur s TRP 127 CO -0.07 -0.65 0.62 -1.01 -0.00 0.00 0.00 176.95 175.84 1cur s HIS 128 N 2.22 3.06 0.89 5.86 3.76 -1.26 -0.30 115.29 129.52 1cur s HIS 128 Ca 0.51 -0.46 -0.12 0.00 -0.15 0.00 0.00 55.06 54.84 1cur s HIS 128 Cb -0.20 -3.47 0.18 0.00 1.11 0.00 0.00 32.58 30.19 1cur s HIS 128 CO 0.18 -0.99 1.23 -1.25 -0.85 0.00 0.00 174.74 173.06 1cur s PRO 129 N 2.63 0.94 0.10 8.40 0.04 -1.26 -5.02 135.00 140.83 1cur s PRO 129 Ca 0.16 -0.60 0.05 0.00 0.04 0.00 0.00 61.00 60.65 1cur s PRO 129 Cb -0.18 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1cur s PRO 129 CO 0.13 -2.14 -0.12 0.95 0.04 0.00 0.00 177.00 175.85 1cur s THR 130 N -3.69 1.13 1.01 1.26 -4.23 -1.26 -4.89 115.64 104.98 1cur s THR 130 Ca 0.72 -1.59 -0.12 0.00 -1.18 0.00 0.00 61.69 59.52 1cur s THR 130 Cb -0.04 -1.36 0.20 0.00 1.34 0.00 0.00 72.50 72.64 1cur s THR 130 CO 0.51 -0.43 1.08 0.00 -0.54 0.00 0.00 174.62 175.24 1cur s ALA 131 N -2.06 0.68 0.00 3.99 0.00 -1.26 -4.76 121.76 118.34 1cur s ALA 131 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1cur s ALA 131 Cb -0.05 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1cur s ALA 131 CO 0.02 -3.10 0.00 0.41 0.00 0.00 0.00 175.76 173.08 1cur n GLY 132 N 0.07 -0.44 3.87 0.00 0.00 0.51 -4.91 105.19 104.29 1cur n GLY 132 Ca 0.07 -2.22 -0.37 0.00 0.00 0.00 0.00 46.02 43.50 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 5.39 0.30 2.61 2.01 -1.26 -0.32 115.64 124.37 1cur s THR 133 Ca 0.00 0.37 0.05 0.00 0.31 0.00 0.00 61.69 62.42 1cur s THR 133 Cb 0.00 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 1cur s THR 133 CO 0.00 0.61 0.26 -0.31 -0.69 0.00 0.00 174.62 174.48 1cur s TYR 134 N -1.03 1.61 0.02 4.92 1.51 0.33 -4.85 117.35 119.87 1cur s TYR 134 Ca 0.17 -1.59 -0.08 0.00 -1.01 0.00 0.00 57.07 54.56 1cur s TYR 134 Cb -0.13 -0.66 0.00 0.00 -0.11 0.00 0.00 41.96 41.06 1cur s TYR 134 CO 0.06 -0.83 0.16 0.71 -1.11 0.00 0.00 175.55 174.54 1cur s TYR 135 N -3.58 0.07 0.11 2.71 1.51 0.79 -0.32 117.35 118.63 1cur s TYR 135 Ca 0.40 -0.24 0.09 0.00 -1.01 0.00 0.00 57.07 56.31 1cur s TYR 135 Cb 0.03 -0.06 -0.04 0.00 -0.11 0.00 0.00 41.96 41.79 1cur s TYR 135 CO 0.24 -0.36 -0.19 1.52 -1.11 0.00 0.00 175.55 175.65 1cur s TYR 136 N -2.06 2.51 0.14 2.71 1.13 0.08 -0.75 117.35 121.11 1cur s TYR 136 Ca -0.09 -0.28 -0.15 0.00 -1.41 0.00 0.00 57.07 55.14 1cur s TYR 136 Cb -0.04 -1.35 0.02 0.00 -1.10 0.00 0.00 41.96 39.49 1cur s TYR 136 CO -0.01 0.36 0.40 0.14 -2.51 0.00 0.00 175.55 173.92 1cur s VAL 137 N -1.09 0.06 -0.17 -3.49 -7.23 0.22 -2.26 120.40 106.44 1cur s VAL 137 Ca 0.17 -0.79 -0.09 0.00 -1.81 0.00 0.00 61.98 59.47 1cur s VAL 137 Cb -0.10 -1.37 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 1cur s VAL 137 CO 0.09 -0.29 0.13 0.00 -0.31 0.00 0.00 175.10 174.72 1cur h GLN 139 N 5.98 0.00 -6.56 0.00 4.20 -1.94 -3.33 115.11 113.45 1cur h GLN 139 Ca -0.47 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 57.72 1cur h GLN 139 Cb 1.18 0.00 0.04 0.00 0.30 0.00 0.00 27.48 29.01 1cur h GLN 139 CO 0.68 0.15 1.06 0.42 -0.67 0.00 0.00 178.83 180.48 1cur s ILE 140 N -3.47 2.40 0.45 2.54 1.01 -1.26 -4.64 121.20 118.22 1cur s ILE 140 Ca 0.03 0.08 -0.21 0.00 0.00 0.00 0.00 60.65 60.54 1cur s ILE 140 Cb 0.08 -3.05 -0.13 0.00 0.01 0.00 0.00 42.46 39.37 1cur s ILE 140 CO 0.63 0.00 0.39 -2.65 0.00 0.00 0.00 174.94 173.32 1cur n PRO 141 N 5.05 0.39 0.00 2.79 -0.02 -1.26 -2.47 135.00 139.48 1cur n PRO 141 Ca 0.17 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1cur n PRO 141 Cb 0.37 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 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 1.96 0.99 0.19 -1.23 0.00 0.40 -4.77 105.19 102.73 1cur n GLY 142 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.36 -0.37 1.61 3.86 -1.78 0.12 115.15 118.23 1cur h HIS 143 Ca 0.00 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1cur h HIS 143 Cb 0.00 0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 1cur h HIS 143 CO 0.00 -0.21 0.15 0.00 0.86 0.00 0.00 177.93 178.73 1cur h ALA 144 N 0.97 0.44 -0.52 2.45 0.00 -1.73 0.20 119.26 121.08 1cur h ALA 144 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1cur h ALA 144 Cb 0.32 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1cur h ALA 144 CO -0.28 -0.23 0.30 0.00 0.00 0.00 0.00 179.25 179.04 1cur h ALA 145 N 1.22 0.66 0.15 0.00 0.00 -1.51 -3.27 119.26 116.52 1cur h ALA 145 Ca 0.17 -0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.71 1cur h ALA 145 Cb 0.12 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1cur h ALA 145 CO -0.15 0.16 -1.28 1.79 0.00 0.00 0.00 179.25 179.77 1cur h THR 146 N 0.69 1.46 0.00 0.00 1.35 -0.50 -3.44 112.91 112.48 1cur h THR 146 Ca 0.18 -3.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.04 1cur h THR 146 Cb 0.01 2.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1cur h THR 146 CO -0.03 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 1cur n GLY 147 N 1.56 0.00 3.58 5.82 0.00 0.19 -4.90 105.19 111.45 1cur n GLY 147 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1cur n GLY 147 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1cur s MET 148 N -0.09 3.70 0.15 1.61 1.00 0.47 -4.54 119.30 121.60 1cur s MET 148 Ca 0.00 -1.81 -0.07 0.00 0.00 0.00 0.00 55.69 53.80 1cur s MET 148 Cb 0.00 -5.48 0.03 0.00 0.00 0.00 0.00 34.83 29.38 1cur s MET 148 CO 0.00 -2.57 0.38 1.97 0.00 0.00 0.00 175.02 174.80 1cur n PHE 149 N 9.52 -1.43 0.00 -0.03 1.16 -1.26 -2.79 117.46 122.63 1cur n PHE 149 Ca 0.48 -0.75 0.00 0.00 -1.87 0.00 0.00 57.45 55.30 1cur n PHE 149 Cb 0.46 0.38 0.00 0.00 -1.61 0.00 0.00 39.48 38.71 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 1.92 3.94 4.97 0.00 -0.96 -4.48 105.19 110.32 1cur n GLY 150 Ca -0.03 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 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 3.46 -0.02 1.61 1.02 -1.25 -0.74 119.74 121.81 1cur s LYS 151 Ca 0.00 -0.52 0.03 0.00 0.02 0.00 0.00 55.97 55.51 1cur s LYS 151 Cb 0.00 -2.95 -0.00 0.00 -0.52 0.00 0.00 37.83 34.35 1cur s LYS 151 CO 0.00 0.51 -0.12 0.42 -0.92 0.00 0.00 175.35 175.24 1cur s ILE 152 N -1.73 0.99 -0.30 2.17 1.01 0.56 -0.48 121.20 123.41 1cur s ILE 152 Ca 0.35 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.50 1cur s ILE 152 Cb -0.11 -0.84 0.10 0.00 0.01 0.00 0.00 42.46 41.61 1cur s ILE 152 CO 0.28 0.29 0.08 -0.69 0.00 0.00 0.00 174.94 174.90 1cur s VAL 153 N -0.10 1.07 -1.01 2.92 1.01 0.50 -0.51 120.40 124.28 1cur s VAL 153 Ca 0.01 -1.47 -0.19 0.00 0.00 0.00 0.00 61.98 60.33 1cur s VAL 153 Cb -0.07 -1.77 0.12 0.00 0.00 0.00 0.00 36.38 34.65 1cur s VAL 153 CO 0.00 -0.62 1.27 -0.69 0.00 0.00 0.00 175.10 175.07 1cur s VAL 154 N 1.53 4.57 0.00 2.92 1.01 0.56 -0.52 120.40 130.47 1cur s VAL 154 Ca 0.09 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1cur s VAL 154 Cb -0.18 -4.88 0.00 0.00 0.00 0.00 0.00 36.38 31.33 1cur s VAL 154 CO -0.21 -1.64 0.00 0.29 0.00 0.00 0.00 175.10 173.53