#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 0.00 2.61 -2.24 -1.26 -4.36 114.28 109.03 1cur n THR 2 Ca 0.00 0.71 0.00 0.00 -2.27 0.00 0.00 64.05 62.49 1cur n THR 2 Cb 0.00 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 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 -0.55 0.00 -0.06 3.22 4.77 -1.26 -0.22 117.00 122.91 1cur n LEU 3 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1cur n LEU 3 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1cur n LEU 3 CO 0.00 0.00 0.80 -0.78 -1.33 0.00 0.00 177.39 176.08 1cur h ASP 4 N 0.00 -0.31 0.00 -1.43 3.58 -0.71 -3.46 116.42 114.09 1cur h ASP 4 Ca 0.00 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1cur h ASP 4 Cb 0.00 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1cur h ASP 4 CO 0.00 -0.12 0.00 0.35 -2.88 0.00 0.00 179.24 176.59 1cur n THR 5 N -5.25 0.00 -1.56 2.25 -2.24 0.70 -4.79 114.28 103.38 1cur n THR 5 Ca -0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 1cur n THR 5 Cb 0.17 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.00 3.20 -3.96 4.28 -1.04 -1.26 -4.90 114.28 110.60 1cur n THR 6 Ca 0.00 -2.67 -0.35 0.00 -2.04 0.00 0.00 64.05 58.99 1cur n THR 6 Cb 0.00 -2.55 -0.10 0.00 -1.82 0.00 0.00 70.33 65.87 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 3.45 3.25 0.36 -1.42 0.23 -1.26 -4.00 118.94 119.54 1cur s TRP 7 Ca 0.51 0.06 -0.07 0.00 -2.03 0.00 0.00 56.10 54.57 1cur s TRP 7 Cb 0.14 -2.10 0.02 0.00 0.03 0.00 0.00 33.47 31.56 1cur s TRP 7 CO -0.05 0.12 0.58 0.15 0.96 0.00 0.00 176.95 178.71 1cur s LYS 8 N 0.49 2.01 -0.07 4.98 -0.14 -1.05 -5.05 119.74 120.91 1cur s LYS 8 Ca 0.04 -1.65 0.01 0.00 -1.36 0.00 0.00 55.97 53.01 1cur s LYS 8 Cb -0.13 0.50 0.02 0.00 -1.68 0.00 0.00 37.83 36.55 1cur s LYS 8 CO 0.01 -0.87 -0.08 -1.21 -0.76 0.00 0.00 175.35 172.44 1cur s GLU 9 N -2.84 1.29 0.00 1.68 2.02 -1.26 -0.61 118.70 118.98 1cur s GLU 9 Ca 0.25 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.01 1cur s GLU 9 Cb -0.02 -1.22 0.00 0.00 0.10 0.00 0.00 34.13 32.99 1cur s GLU 9 CO 0.17 -0.09 0.00 0.00 0.02 0.00 0.00 175.26 175.36 1cur n ALA 10 N 4.22 0.00 -2.26 5.21 0.00 0.34 -4.71 120.51 123.32 1cur n ALA 10 Ca -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.09 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 1.87 0.26 0.21 0.00 -4.23 -1.26 -0.16 115.64 112.33 1cur s THR 11 Ca 0.00 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.30 1cur s THR 11 Cb 0.00 -2.56 0.15 0.00 1.34 0.00 0.00 72.50 71.43 1cur s THR 11 CO 0.00 0.00 1.51 -0.11 -0.54 0.00 0.00 174.62 175.48 1cur n LEU 12 N -0.38 -0.74 -0.06 4.79 0.00 -1.21 -0.51 117.00 118.90 1cur n LEU 12 Ca 0.01 1.71 0.12 0.00 0.00 0.00 0.00 56.01 57.86 1cur n LEU 12 Cb 0.66 -0.35 0.52 0.00 0.00 0.00 0.00 43.42 44.25 1cur n LEU 12 CO 0.35 -1.50 1.18 1.55 0.00 0.00 0.00 177.39 178.97 1cur h PRO 13 N 0.00 0.35 0.00 1.96 0.13 -1.98 0.21 132.00 132.68 1cur h PRO 13 Ca 0.29 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.37 1cur h PRO 13 Cb 0.53 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 1cur h PRO 13 CO -0.96 0.23 -0.13 1.96 -0.23 0.00 0.00 178.00 178.88 1cur h GLN 14 N 0.37 0.00 -0.52 0.86 7.50 -1.21 -1.96 115.11 120.15 1cur h GLN 14 Ca 0.26 0.00 0.08 0.00 0.50 0.00 0.00 58.65 59.49 1cur h GLN 14 Cb 0.53 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.99 1cur h GLN 14 CO -0.07 0.13 0.14 0.28 -1.50 0.00 0.00 178.83 177.81 1cur h VAL 15 N 0.00 0.75 0.36 -0.54 2.07 -0.90 0.77 116.25 118.77 1cur h VAL 15 Ca -0.00 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1cur h VAL 15 Cb 0.35 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1cur h VAL 15 CO 0.02 0.05 -0.21 0.11 0.02 0.00 0.00 177.57 177.56 1cur h LYS 16 N 0.29 -0.53 -0.57 1.57 1.57 -1.46 -0.54 116.57 116.91 1cur h LYS 16 Ca 0.26 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.19 1cur h LYS 16 Cb 0.33 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 32.67 1cur h LYS 16 CO -0.31 -0.35 0.06 0.00 -0.57 0.00 0.00 179.45 178.28 1cur h ALA 17 N 0.07 0.61 0.43 3.86 0.00 -1.19 0.10 119.26 123.14 1cur h ALA 17 Ca -0.04 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1cur h ALA 17 Cb 0.44 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1cur h ALA 17 CO 0.05 -0.35 -0.21 0.52 0.00 0.00 0.00 179.25 179.26 1cur h MET 18 N 0.18 -0.56 -0.59 0.00 2.86 -0.71 -3.09 114.93 113.03 1cur h MET 18 Ca 0.30 0.04 0.12 0.00 -2.06 0.00 0.00 59.70 58.09 1cur h MET 18 Cb 0.45 0.13 -0.09 0.00 0.06 0.00 0.00 31.60 32.15 1cur h MET 18 CO -0.43 -0.31 0.04 -0.07 1.06 0.00 0.00 176.91 177.20 1cur h LEU 19 N -0.69 -0.17 -2.04 1.22 3.38 -0.35 -0.28 115.31 116.37 1cur h LEU 19 Ca -0.06 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.15 1cur h LEU 19 Cb 0.50 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1cur h LEU 19 CO 0.10 -0.07 0.37 -0.33 0.09 0.00 0.00 178.44 178.60 1cur h GLU 20 N 0.16 0.00 -0.00 1.13 5.08 -0.77 -0.31 114.58 119.88 1cur h GLU 20 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1cur h GLU 20 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1cur h GLU 20 CO -0.47 0.00 -0.37 1.63 -1.00 0.00 0.00 179.01 178.80 1cur n LYS 21 N -3.77 0.14 -1.52 2.33 5.02 -0.12 -4.98 118.16 115.26 1cur n LYS 21 Ca 0.06 -0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 1cur n LYS 21 Cb 0.54 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.07 1cur n LYS 21 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1cur n ASP 22 N -1.37 -0.05 -4.55 4.39 4.64 -0.13 -4.96 116.55 114.53 1cur n ASP 22 Ca 0.07 0.92 -0.26 0.00 -1.38 0.00 0.00 54.79 54.15 1cur n ASP 22 Cb 0.33 -1.22 -0.11 0.00 -1.04 0.00 0.00 41.12 39.09 1cur n ASP 22 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1cur s THR 23 N -1.43 2.07 0.00 5.18 -4.23 -0.11 -5.05 115.64 112.07 1cur s THR 23 Ca 0.65 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1cur s THR 23 Cb -0.56 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 70.57 1cur s THR 23 CO 0.56 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 1cur n GLY 24 N -0.81 2.79 3.79 3.99 0.00 -1.26 -4.68 105.19 109.00 1cur n GLY 24 Ca -0.05 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 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 -4.01 4.49 0.45 1.61 1.02 0.51 -4.76 119.74 119.05 1cur s LYS 25 Ca 0.00 1.20 -0.24 0.00 0.02 0.00 0.00 55.97 56.95 1cur s LYS 25 Cb 0.00 -2.83 -0.07 0.00 -0.52 0.00 0.00 37.83 34.41 1cur s LYS 25 CO 0.00 0.32 1.22 0.08 -0.92 0.00 0.00 175.35 176.05 1cur s VAL 26 N -1.58 2.87 -0.44 3.17 1.01 -1.26 -0.30 120.40 123.86 1cur s VAL 26 Ca 0.48 0.69 0.07 0.00 0.00 0.00 0.00 61.98 63.22 1cur s VAL 26 Cb -0.18 -3.37 0.25 0.00 0.00 0.00 0.00 36.38 33.09 1cur s VAL 26 CO 0.23 0.02 0.74 -1.20 0.00 0.00 0.00 175.10 174.90 1cur n SER 27 N -0.36 -1.43 0.00 3.32 7.64 0.12 -4.78 113.62 118.13 1cur n SER 27 Ca 0.07 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 56.88 1cur n SER 27 Cb 0.46 0.71 0.00 0.00 -1.01 0.00 0.00 64.21 64.37 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 1.41 2.63 0.08 0.23 0.00 -1.26 -0.93 105.19 107.36 1cur n GLY 28 Ca 0.15 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1cur n GLY 28 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1cur h ASP 29 N 0.00 0.11 -4.16 1.61 1.82 -1.98 -3.46 116.42 110.35 1cur h ASP 29 Ca 0.00 -0.11 -0.47 0.00 -0.39 0.00 0.00 57.03 56.07 1cur h ASP 29 Cb 0.00 -0.03 0.01 0.00 0.68 0.00 0.00 39.33 39.99 1cur h ASP 29 CO 0.00 1.04 0.37 -0.89 -1.61 0.00 0.00 179.24 178.15 1cur s THR 30 N -2.82 4.44 -0.06 2.25 2.01 -0.10 -3.40 115.64 117.96 1cur s THR 30 Ca -0.01 1.25 0.06 0.00 0.31 0.00 0.00 61.69 63.31 1cur s THR 30 Cb 0.10 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 1cur s THR 30 CO 0.83 -0.59 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.24 1cur s VAL 31 N -2.50 2.01 -0.07 3.82 1.01 0.32 0.15 120.40 125.13 1cur s VAL 31 Ca 0.60 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1cur s VAL 31 Cb -0.10 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 1cur s VAL 31 CO 0.27 0.56 -0.22 -0.89 0.00 0.00 0.00 175.10 174.82 1cur s THR 32 N -0.15 1.88 0.54 3.92 2.01 0.59 -0.45 115.64 123.98 1cur s THR 32 Ca -0.04 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.09 1cur s THR 32 Cb -0.14 -1.61 0.05 0.00 0.01 0.00 0.00 72.50 70.82 1cur s THR 32 CO 0.04 0.52 0.56 -0.31 -0.69 0.00 0.00 174.62 174.74 1cur s TYR 33 N 0.07 1.65 0.00 4.92 1.51 -0.11 -0.36 117.35 125.02 1cur s TYR 33 Ca -0.09 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.21 1cur s TYR 33 Cb -0.15 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 39.64 1cur s TYR 33 CO 0.05 -0.71 0.00 0.43 -1.11 0.00 0.00 175.55 174.20 1cur n SER 34 N -1.94 0.00 -4.76 2.29 7.64 -1.26 -4.66 113.62 110.93 1cur n SER 34 Ca 0.06 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.56 1cur n SER 34 Cb 0.63 0.36 0.01 0.00 -1.01 0.00 0.00 64.21 64.20 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 -2.84 2.86 0.46 0.23 0.00 -1.26 -4.85 107.32 101.91 1cur s GLY 35 Ca 0.00 1.15 0.12 0.00 0.00 0.00 0.00 44.72 45.99 1cur s GLY 35 CO 0.00 1.67 2.09 0.50 0.00 0.00 0.00 173.10 177.36 1cur h LYS 36 N 2.06 0.22 -5.15 2.90 1.79 -1.95 -3.32 116.57 113.13 1cur h LYS 36 Ca -0.50 -0.02 -0.65 0.00 -2.18 0.00 0.00 60.65 57.31 1cur h LYS 36 Cb 1.26 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.81 1cur h LYS 36 CO 0.60 0.18 2.37 2.41 -1.08 0.00 0.00 179.45 183.92 1cur n THR 37 N -4.48 3.40 -2.47 -0.16 -1.04 -1.26 -0.38 114.28 107.90 1cur n THR 37 Ca -0.01 -3.34 -0.41 0.00 -2.04 0.00 0.00 64.05 58.25 1cur n THR 37 Cb 0.10 -2.41 -0.03 0.00 -1.82 0.00 0.00 70.33 66.18 1cur n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1cur s VAL 38 N 4.77 3.76 -0.44 12.58 1.01 -1.08 -4.97 120.40 136.03 1cur s VAL 38 Ca 0.54 0.56 -0.09 0.00 0.00 0.00 0.00 61.98 62.99 1cur s VAL 38 Cb 0.07 -4.66 0.09 0.00 0.00 0.00 0.00 36.38 31.89 1cur s VAL 38 CO 0.04 -1.48 0.29 -2.28 0.00 0.00 0.00 175.10 171.67 1cur s HIS 39 N 5.99 3.38 0.08 5.22 2.46 -1.26 -0.27 115.29 130.89 1cur s HIS 39 Ca 0.44 -1.68 0.00 0.00 0.47 0.00 0.00 55.06 54.29 1cur s HIS 39 Cb -0.09 -3.16 -0.04 0.00 -0.13 0.00 0.00 32.58 29.16 1cur s HIS 39 CO 0.20 -0.91 0.23 0.08 -2.47 0.00 0.00 174.74 171.88 1cur s VAL 40 N 1.39 5.37 -0.31 0.89 1.01 -0.00 -0.93 120.40 127.82 1cur s VAL 40 Ca 0.04 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 1cur s VAL 40 Cb -0.24 -3.65 0.10 0.00 0.00 0.00 0.00 36.38 32.58 1cur s VAL 40 CO 0.01 0.09 0.09 -0.69 0.00 0.00 0.00 175.10 174.60 1cur s VAL 41 N -1.56 1.02 0.17 2.92 1.01 -1.26 -0.39 120.40 122.31 1cur s VAL 41 Ca 0.35 -1.47 0.05 0.00 0.00 0.00 0.00 61.98 60.92 1cur s VAL 41 Cb -0.13 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1cur s VAL 41 CO 0.28 -0.64 0.13 0.00 0.00 0.00 0.00 175.10 174.87 1cur s ALA 42 N 1.55 3.54 0.08 5.51 0.00 0.32 -0.28 121.76 132.48 1cur s ALA 42 Ca 0.09 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.70 1cur s ALA 42 Cb -0.17 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1cur s ALA 42 CO -0.23 0.47 0.22 0.00 0.00 0.00 0.00 175.76 176.23 1cur s ALA 43 N -1.79 -0.35 -0.17 0.00 0.00 0.12 -0.25 121.76 119.32 1cur s ALA 43 Ca 0.31 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1cur s ALA 43 Cb -0.10 0.44 0.03 0.00 0.00 0.00 0.00 23.12 23.50 1cur s ALA 43 CO 0.23 -0.48 -0.12 0.00 0.00 0.00 0.00 175.76 175.39 1cur s ALA 44 N -3.46 1.87 -0.94 0.00 0.00 -1.12 -0.53 121.76 117.58 1cur s ALA 44 Ca 0.02 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.88 1cur s ALA 44 Cb 0.03 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 22.02 1cur s ALA 44 CO -0.09 -0.56 0.64 0.28 0.00 0.00 0.00 175.76 176.03 1cur n VAL 45 N 4.75 -3.81 -2.37 0.00 0.31 0.08 -3.52 118.33 113.77 1cur n VAL 45 Ca -0.16 -0.23 -0.33 0.00 -0.01 0.00 0.00 64.34 63.61 1cur n VAL 45 Cb 0.49 -3.14 -0.03 0.00 -0.91 0.00 0.00 33.84 30.25 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 -5.62 3.66 -0.15 7.52 1.43 -1.26 -4.20 118.68 120.05 1cur s LEU 46 Ca 0.15 1.69 -0.41 0.00 -1.03 0.00 0.00 54.13 54.54 1cur s LEU 46 Cb -0.08 -4.53 -0.18 0.00 0.03 0.00 0.00 46.19 41.44 1cur s LEU 46 CO 0.90 -0.73 1.44 -2.65 0.23 0.00 0.00 176.35 175.54 1cur n PRO 47 N -1.51 0.65 0.00 1.29 -0.02 -1.26 -0.72 135.00 133.42 1cur n PRO 47 Ca 0.08 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1cur n PRO 47 Cb 0.54 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1cur n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cur n GLY 48 N 3.04 2.41 3.50 -1.23 0.00 -1.26 -5.05 105.19 106.60 1cur n GLY 48 Ca 0.24 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.98 3.23 0.93 1.61 0.08 0.10 -5.07 117.98 116.87 1cur s PHE 49 Ca 0.00 -0.36 -0.10 0.00 0.12 0.00 0.00 56.93 56.58 1cur s PHE 49 Cb 0.00 -2.54 0.13 0.00 -0.57 0.00 0.00 43.02 40.04 1cur s PHE 49 CO 0.00 -0.47 1.02 -2.30 -0.10 0.00 0.00 175.22 173.38 1cur n PRO 50 N 5.15 -0.46 -2.05 0.24 -0.02 -1.26 -4.29 135.00 132.31 1cur n PRO 50 Ca -0.12 -0.07 -0.37 0.00 -2.02 0.00 0.00 63.50 60.92 1cur n PRO 50 Cb 0.48 -2.29 0.02 0.00 -0.02 0.00 0.00 33.50 31.69 1cur n PRO 50 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1cur s PHE 51 N -2.60 2.55 -0.81 6.00 0.40 -1.26 -2.36 117.98 119.90 1cur s PHE 51 Ca 0.65 1.48 0.02 0.00 -0.60 0.00 0.00 56.93 58.49 1cur s PHE 51 Cb -0.23 -3.53 0.29 0.00 0.51 0.00 0.00 43.02 40.07 1cur s PHE 51 CO 0.60 -2.12 1.12 -0.35 0.70 0.00 0.00 175.22 175.17 1cur n PRO 52 N -1.02 3.56 -3.37 0.24 -0.04 -1.26 -5.14 135.00 127.97 1cur n PRO 52 Ca 0.10 -4.67 -0.38 0.00 -0.04 0.00 0.00 63.50 58.51 1cur n PRO 52 Cb 0.48 -2.36 -0.06 0.00 -0.04 0.00 0.00 33.50 31.52 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 -2.31 6.74 -0.20 3.54 1.04 -1.00 -3.80 113.70 117.72 1cur s SER 53 Ca 0.38 0.88 -0.23 0.00 0.48 0.00 0.00 55.95 57.46 1cur s SER 53 Cb 0.14 -2.28 -0.02 0.00 0.10 0.00 0.00 66.02 63.97 1cur s SER 53 CO -0.00 0.12 0.76 -0.36 0.98 0.00 0.00 173.24 174.73 1cur s PHE 54 N -0.01 3.37 -0.12 5.02 0.08 -1.26 -0.74 117.98 124.32 1cur s PHE 54 Ca 0.25 1.10 -0.16 0.00 0.12 0.00 0.00 56.93 58.23 1cur s PHE 54 Cb -0.16 -2.95 -0.04 0.00 -0.57 0.00 0.00 43.02 39.30 1cur s PHE 54 CO 0.12 -0.27 0.41 -1.21 -0.10 0.00 0.00 175.22 174.17 1cur s GLU 55 N 2.28 4.27 -0.12 0.44 8.01 0.31 -0.43 118.70 133.46 1cur s GLU 55 Ca 0.34 0.34 -0.03 0.00 0.01 0.00 0.00 54.97 55.62 1cur s GLU 55 Cb -0.16 -3.41 0.04 0.00 -4.31 0.00 0.00 34.13 26.29 1cur s GLU 55 CO 0.10 0.23 0.05 0.08 0.01 0.00 0.00 175.26 175.73 1cur s VAL 56 N 0.41 0.18 0.00 2.63 1.01 0.09 0.16 120.40 124.87 1cur s VAL 56 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1cur s VAL 56 Cb -0.15 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1cur s VAL 56 CO 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.17 1cur n HIS 57 N 5.19 0.00 1.84 5.22 1.44 0.62 -0.28 115.22 129.25 1cur n HIS 57 Ca -0.07 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.70 1cur n HIS 57 Cb 0.49 0.00 0.27 0.00 0.12 0.00 0.00 29.99 30.88 1cur n HIS 57 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1cur n ASP 58 N 2.63 0.30 -0.98 4.39 2.03 -1.26 -4.88 116.55 118.78 1cur n ASP 58 Ca 0.00 -1.73 0.00 0.00 0.52 0.00 0.00 54.79 53.58 1cur n ASP 58 Cb 0.00 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1cur n ASP 58 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1cur n LYS 59 N -0.47 0.00 -4.05 -0.67 4.76 0.62 -5.14 118.16 113.21 1cur n LYS 59 Ca 0.08 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.32 1cur n LYS 59 Cb 0.08 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.10 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 -1.93 0.69 -1.45 1.97 1.02 -1.26 -0.73 119.74 118.04 1cur s LYS 60 Ca 0.00 -0.04 -0.00 0.00 0.02 0.00 0.00 55.97 55.95 1cur s LYS 60 Cb 0.00 -0.79 0.00 0.00 -0.52 0.00 0.00 37.83 36.52 1cur s LYS 60 CO 0.00 -0.13 0.31 0.09 -0.92 0.00 0.00 175.35 174.70 1cur n ASN 61 N 4.24 0.02 -4.59 2.83 3.02 0.43 -4.87 115.26 116.33 1cur n ASN 61 Ca -0.22 -1.08 -0.28 0.00 -0.03 0.00 0.00 54.58 52.96 1cur n ASN 61 Cb 0.51 -2.65 0.13 0.00 -0.61 0.00 0.00 39.78 37.15 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 -6.78 1.46 0.06 3.52 0.04 -1.26 -4.77 135.00 127.26 1cur s PRO 62 Ca 0.01 -0.24 -0.09 0.00 0.04 0.00 0.00 61.00 60.72 1cur s PRO 62 Cb -0.01 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1cur s PRO 62 CO 0.92 -1.85 0.37 0.99 0.04 0.00 0.00 177.00 177.47 1cur s THR 63 N -3.62 5.14 -0.06 1.26 2.01 -1.22 -4.11 115.64 115.05 1cur s THR 63 Ca 0.67 0.40 0.03 0.00 0.31 0.00 0.00 61.69 63.09 1cur s THR 63 Cb -0.08 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1cur s THR 63 CO 0.50 0.32 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.86 1cur s LEU 64 N -1.84 2.84 -0.41 4.42 1.02 0.26 -0.52 118.68 124.44 1cur s LEU 64 Ca 0.31 -0.16 -0.01 0.00 0.02 0.00 0.00 54.13 54.30 1cur s LEU 64 Cb -0.14 -1.59 0.11 0.00 0.02 0.00 0.00 46.19 44.59 1cur s LEU 64 CO 0.17 0.34 0.18 -1.61 0.02 0.00 0.00 176.35 175.46 1cur s GLU 65 N -0.69 1.90 -0.13 1.70 0.41 0.40 -0.27 118.70 122.01 1cur s GLU 65 Ca 0.11 -1.93 -0.07 0.00 -0.41 0.00 0.00 54.97 52.66 1cur s GLU 65 Cb -0.11 -3.48 -0.04 0.00 -1.78 0.00 0.00 34.13 28.72 1cur s GLU 65 CO 0.01 -1.05 0.12 0.42 -0.49 0.00 0.00 175.26 174.27 1cur s ILE 66 N 0.90 5.29 -0.12 -1.63 1.01 0.40 -0.93 121.20 126.12 1cur s ILE 66 Ca 0.10 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.59 1cur s ILE 66 Cb -0.22 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 1cur s ILE 66 CO -0.05 0.58 1.11 -2.16 0.00 0.00 0.00 174.94 174.43 1cur s PRO 67 N -0.74 4.34 0.27 2.79 0.04 -1.26 -0.48 135.00 139.95 1cur s PRO 67 Ca 0.13 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.39 1cur s PRO 67 Cb -0.12 -3.60 -0.14 0.00 0.04 0.00 0.00 34.50 30.68 1cur s PRO 67 CO 0.03 -0.48 1.10 0.00 0.04 0.00 0.00 177.00 177.69 1cur n ALA 68 N 5.57 -0.07 -0.60 8.56 0.00 0.26 -1.46 120.51 132.77 1cur n ALA 68 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1cur n ALA 68 Cb 0.47 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 1.42 1.06 3.68 0.00 0.00 -1.26 -5.00 105.19 105.08 1cur n GLY 69 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1cur n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cur n ALA 70 N 0.02 0.73 -3.01 4.61 0.00 -0.53 -4.94 120.51 117.39 1cur n ALA 70 Ca 0.00 0.02 -0.44 0.00 0.00 0.00 0.00 53.44 53.01 1cur n ALA 70 Cb 0.00 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 1cur n ALA 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cur s THR 71 N -1.43 4.87 -0.74 0.00 2.01 0.49 -4.46 115.64 116.38 1cur s THR 71 Ca 0.78 -1.63 -0.27 0.00 0.31 0.00 0.00 61.69 60.89 1cur s THR 71 Cb -0.40 -4.70 0.03 0.00 0.01 0.00 0.00 72.50 67.44 1cur s THR 71 CO 0.44 -1.39 1.34 -0.69 -0.69 0.00 0.00 174.62 173.63 1cur s VAL 72 N 2.30 3.70 -0.45 3.82 1.01 0.89 -2.63 120.40 129.04 1cur s VAL 72 Ca 0.28 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.43 1cur s VAL 72 Cb -0.08 -4.85 0.05 0.00 0.00 0.00 0.00 36.38 31.50 1cur s VAL 72 CO -0.07 -1.79 0.41 -1.81 0.00 0.00 0.00 175.10 171.84 1cur s ASP 73 N 4.16 6.16 -0.31 3.32 1.01 0.63 -0.46 116.67 131.19 1cur s ASP 73 Ca 0.38 -1.04 -0.11 0.00 0.71 0.00 0.00 52.55 52.49 1cur s ASP 73 Cb -0.08 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 1cur s ASP 73 CO 0.14 -0.62 0.19 -0.69 0.21 0.00 0.00 175.17 174.40 1cur s VAL 74 N 1.87 5.00 0.04 -1.27 1.01 0.08 -0.82 120.40 126.31 1cur s VAL 74 Ca 0.07 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 1cur s VAL 74 Cb -0.21 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 1cur s VAL 74 CO 0.09 0.10 0.62 -0.89 0.00 0.00 0.00 175.10 175.02 1cur s THR 75 N 1.69 4.78 0.05 3.92 2.01 0.48 -1.90 115.64 126.67 1cur s THR 75 Ca 0.06 1.31 0.06 0.00 0.31 0.00 0.00 61.69 63.42 1cur s THR 75 Cb -0.17 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1cur s THR 75 CO 0.09 0.48 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.02 1cur s PHE 76 N -0.61 2.74 -0.45 4.92 0.08 0.32 -0.52 117.98 124.45 1cur s PHE 76 Ca 0.31 -0.15 0.09 0.00 0.12 0.00 0.00 56.93 57.31 1cur s PHE 76 Cb -0.19 -1.51 0.35 0.00 -0.57 0.00 0.00 43.02 41.10 1cur s PHE 76 CO 0.19 0.35 0.82 -0.89 -0.10 0.00 0.00 175.22 175.60 1cur n ILE 77 N 1.28 1.12 -2.72 0.64 -0.00 0.65 -3.02 119.36 117.32 1cur n ILE 77 Ca -0.15 -4.94 -0.43 0.00 -0.00 0.00 0.00 62.75 57.23 1cur n ILE 77 Cb 0.52 -0.69 0.00 0.00 -0.00 0.00 0.00 39.64 39.48 1cur n ILE 77 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1cur n ASN 78 N 0.06 5.47 0.00 4.38 5.15 -1.09 -2.80 115.26 126.44 1cur n ASN 78 Ca 0.27 -3.15 0.00 0.00 -0.60 0.00 0.00 54.58 51.11 1cur n ASN 78 Cb 0.56 -1.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.37 1cur n ASN 78 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1cur n THR 79 N 3.07 0.00 -2.93 -0.44 -2.24 -1.26 -4.74 114.28 105.75 1cur n THR 79 Ca 0.34 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 1cur n THR 79 Cb 0.37 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1cur n THR 79 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cur n ASN 80 N -1.55 0.00 -3.68 3.42 2.85 -1.23 -4.38 115.26 110.69 1cur n ASN 80 Ca 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.36 1cur n ASN 80 Cb 0.00 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 40.90 1cur n ASN 80 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1cur s LYS 81 N 0.00 0.25 0.00 1.20 1.02 -1.26 -4.46 119.74 116.48 1cur s LYS 81 Ca 0.00 0.79 0.00 0.00 0.02 0.00 0.00 55.97 56.78 1cur s LYS 81 Cb 0.00 0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1cur s LYS 81 CO 0.00 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 1cur n GLY 82 N 4.97 1.24 3.57 -3.33 0.00 -1.26 -4.82 105.19 105.55 1cur n GLY 82 Ca -0.13 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 2.48 -0.62 1.61 0.40 -1.26 -4.88 117.98 115.70 1cur s PHE 83 Ca 0.00 -0.83 -0.29 0.00 -0.60 0.00 0.00 56.93 55.21 1cur s PHE 83 Cb 0.00 -4.57 -0.30 0.00 0.51 0.00 0.00 43.02 38.67 1cur s PHE 83 CO 0.00 -1.78 1.89 0.41 0.70 0.00 0.00 175.22 176.44 1cur n GLY 84 N 6.17 0.00 3.45 4.36 0.00 -1.26 -4.79 105.19 113.14 1cur n GLY 84 Ca 0.41 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 15.13 -0.87 -4.32 1.61 8.25 -1.26 -3.67 115.22 130.10 1cur n HIS 85 Ca 0.44 0.18 -0.17 0.00 -0.26 0.00 0.00 57.72 57.91 1cur n HIS 85 Cb 0.45 -1.77 -0.10 0.00 1.12 0.00 0.00 29.99 29.68 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 -2.20 1.69 -0.38 0.41 1.04 -1.26 -2.89 113.70 110.11 1cur s SER 86 Ca 0.61 -1.23 0.01 0.00 0.48 0.00 0.00 55.95 55.82 1cur s SER 86 Cb -0.20 0.04 0.13 0.00 0.10 0.00 0.00 66.02 66.08 1cur s SER 86 CO 0.65 -0.54 0.19 0.12 0.98 0.00 0.00 173.24 174.63 1cur s PHE 87 N -3.48 1.65 -0.18 5.02 2.19 -1.26 -3.93 117.98 117.99 1cur s PHE 87 Ca 0.29 -2.06 -0.11 0.00 0.33 0.00 0.00 56.93 55.38 1cur s PHE 87 Cb 0.06 -1.65 -0.05 0.00 -1.31 0.00 0.00 43.02 40.07 1cur s PHE 87 CO 0.09 -0.82 0.20 -0.51 1.83 0.00 0.00 175.22 176.01 1cur s ASP 88 N 0.88 6.32 -0.16 6.13 1.11 0.46 -0.42 116.67 130.98 1cur s ASP 88 Ca 0.15 0.36 -0.07 0.00 0.18 0.00 0.00 52.55 53.17 1cur s ASP 88 Cb -0.22 -2.13 -0.04 0.00 1.07 0.00 0.00 42.92 41.60 1cur s ASP 88 CO -0.07 0.16 0.09 -0.63 1.18 0.00 0.00 175.17 175.90 1cur s ILE 89 N 0.30 5.02 0.00 0.77 1.01 0.49 -0.86 121.20 127.93 1cur s ILE 89 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1cur s ILE 89 Cb -0.12 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.12 1cur s ILE 89 CO 0.01 0.51 0.00 1.07 0.00 0.00 0.00 174.94 176.53 1cur n THR 90 N 3.00 0.00 -0.45 2.92 5.66 -0.07 -1.06 114.28 124.28 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 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 -0.55 -2.04 1.09 5.02 -1.26 -0.11 118.16 120.31 1cur n LYS 91 Ca 0.00 -0.27 -0.42 0.00 -2.02 0.00 0.00 58.31 55.60 1cur n LYS 91 Cb 0.00 -0.77 -0.03 0.00 -0.02 0.00 0.00 35.03 34.21 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 -0.00 4.26 0.69 1.97 1.02 -1.26 -4.75 119.74 121.68 1cur s LYS 92 Ca 0.00 2.23 -0.07 0.00 0.02 0.00 0.00 55.97 58.14 1cur s LYS 92 Cb 0.00 -3.24 0.05 0.00 -0.52 0.00 0.00 37.83 34.12 1cur s LYS 92 CO 0.00 -0.55 1.02 0.20 -0.92 0.00 0.00 175.35 175.10 1cur s GLY 93 N 1.26 1.66 0.79 -3.33 0.00 -1.26 -4.68 107.32 101.75 1cur s GLY 93 Ca 0.68 -0.81 -0.11 0.00 0.00 0.00 0.00 44.72 44.48 1cur s GLY 93 CO 0.31 -0.42 1.09 2.56 0.00 0.00 0.00 173.10 176.63 1cur s PRO 94 N -5.24 2.10 0.77 2.90 0.04 -1.26 -4.59 135.00 129.71 1cur s PRO 94 Ca 0.59 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 1cur s PRO 94 Cb -0.11 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.60 1cur s PRO 94 CO 0.46 -1.74 1.09 -1.25 0.04 0.00 0.00 177.00 175.60 1cur s PRO 95 N -4.91 2.34 0.14 0.56 0.04 -1.26 -5.18 135.00 126.73 1cur s PRO 95 Ca 0.61 0.66 0.07 0.00 0.04 0.00 0.00 61.00 62.39 1cur s PRO 95 Cb -0.17 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1cur s PRO 95 CO 0.56 -1.45 -0.03 0.71 0.04 0.00 0.00 177.00 176.83 1cur s TYR 96 N -3.17 2.83 0.53 0.56 2.02 -1.26 -5.05 117.35 113.81 1cur s TYR 96 Ca 0.60 -0.13 -0.17 0.00 -0.37 0.00 0.00 57.07 57.00 1cur s TYR 96 Cb -0.14 -1.41 -0.07 0.00 -0.40 0.00 0.00 41.96 39.94 1cur s TYR 96 CO 0.54 0.49 1.02 0.00 -1.57 0.00 0.00 175.55 176.03 1cur s ALA 97 N -1.54 2.92 0.28 3.71 0.00 -1.26 -4.08 121.76 121.78 1cur s ALA 97 Ca 0.26 0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.54 1cur s ALA 97 Cb -0.10 -3.18 0.39 0.00 0.00 0.00 0.00 23.12 20.22 1cur s ALA 97 CO 0.17 -0.41 1.93 0.28 0.00 0.00 0.00 175.76 177.74 1cur h VAL 98 N 0.96 1.18 -3.14 0.00 2.07 -1.96 -3.38 116.25 111.98 1cur h VAL 98 Ca -0.47 -0.41 -0.57 0.00 0.82 0.00 0.00 66.70 66.06 1cur h VAL 98 Cb 1.20 -0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1cur h VAL 98 CO 0.60 0.22 0.87 -0.04 0.02 0.00 0.00 177.57 179.24 1cur s MET 99 N -6.01 4.11 -0.14 1.57 -1.94 -1.26 -0.61 119.30 115.02 1cur s MET 99 Ca -0.12 1.29 -0.30 0.00 -1.71 0.00 0.00 55.69 54.86 1cur s MET 99 Cb 0.19 -3.75 -0.07 0.00 2.01 0.00 0.00 34.83 33.20 1cur s MET 99 CO 0.81 -0.85 2.12 -2.30 -0.01 0.00 0.00 175.02 174.79 1cur n PRO 100 N 6.79 2.19 -1.59 2.03 -0.02 -1.26 -4.85 135.00 138.28 1cur n PRO 100 Ca 0.13 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 1cur n PRO 100 Cb 0.46 -3.07 -0.01 0.00 -0.02 0.00 0.00 33.50 30.86 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 6.86 3.68 0.20 -1.45 0.31 -1.26 -4.69 118.33 121.97 1cur n VAL 101 Ca 0.27 -2.85 0.09 0.00 -0.01 0.00 0.00 64.34 61.84 1cur n VAL 101 Cb 0.41 -2.61 0.15 0.00 -0.91 0.00 0.00 33.84 30.89 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 3.71 0.26 -0.08 2.52 3.07 -1.98 -3.35 117.51 121.66 1cur h ILE 102 Ca 0.66 -1.34 0.03 0.00 1.55 0.00 0.00 64.86 65.76 1cur h ILE 102 Cb 0.53 2.10 -0.06 0.00 -0.27 0.00 0.00 36.82 39.12 1cur h ILE 102 CO 1.86 0.15 -0.50 0.44 -1.05 0.00 0.00 178.15 179.04 1cur h ASP 103 N 0.00 -1.57 0.00 2.16 3.32 -2.02 -2.71 116.42 115.59 1cur h ASP 103 Ca -0.00 0.19 -0.57 0.00 0.02 0.00 0.00 57.03 56.66 1cur h ASP 103 Cb 1.09 0.61 0.02 0.00 0.22 0.00 0.00 39.33 41.27 1cur h ASP 103 CO 0.02 -0.48 3.15 -0.81 -1.72 0.00 0.00 179.24 179.39 1cur n PRO 104 N -5.45 2.77 -4.50 3.56 -0.04 -1.26 -4.87 135.00 125.22 1cur n PRO 104 Ca -0.06 -1.97 -0.31 0.00 -0.04 0.00 0.00 63.50 61.12 1cur n PRO 104 Cb 0.38 -2.77 -0.11 0.00 -0.04 0.00 0.00 33.50 30.96 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 3.08 3.21 0.00 0.52 -1.09 -1.03 -4.76 121.20 121.14 1cur s ILE 105 Ca 0.55 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 1cur s ILE 105 Cb 0.14 -2.40 0.00 0.00 -1.58 0.00 0.00 42.46 38.62 1cur s ILE 105 CO -0.03 0.31 0.00 0.52 -1.23 0.00 0.00 174.94 174.51 1cur n VAL 106 N 1.38 0.00 -2.64 2.92 0.31 -0.22 -5.02 118.33 115.07 1cur n VAL 106 Ca -0.15 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.03 1cur n VAL 106 Cb 0.52 -0.23 0.07 0.00 -0.91 0.00 0.00 33.84 33.30 1cur n VAL 106 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cur n ALA 107 N -3.00 0.32 0.00 3.52 0.00 -1.18 -4.95 120.51 115.23 1cur n ALA 107 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1cur n ALA 107 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1cur n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cur n GLY 108 N -0.04 0.25 0.09 0.00 0.00 -1.26 -0.38 105.19 103.85 1cur n GLY 108 Ca 0.11 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.85 1cur n GLY 108 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cur h THR 109 N 1.94 1.22 0.00 2.61 1.35 -1.11 -3.12 112.91 115.80 1cur h THR 109 Ca 0.00 -2.17 0.00 0.00 -0.55 0.00 0.00 66.41 63.69 1cur h THR 109 Cb 0.00 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1cur h THR 109 CO 0.00 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 1cur n GLY 110 N 1.52 -3.29 3.75 5.82 0.00 -1.26 -0.48 105.19 111.26 1cur n GLY 110 Ca -0.21 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.68 3.78 0.38 1.61 0.08 -1.26 -4.18 117.98 117.71 1cur s PHE 111 Ca 0.00 1.79 -0.07 0.00 0.12 0.00 0.00 56.93 58.77 1cur s PHE 111 Cb 0.00 -3.13 -0.05 0.00 -0.57 0.00 0.00 43.02 39.26 1cur s PHE 111 CO 0.00 -0.06 0.69 -1.54 -0.10 0.00 0.00 175.22 174.21 1cur s SER 112 N -0.84 6.43 -1.02 1.36 1.04 -1.14 -1.51 113.70 118.03 1cur s SER 112 Ca 0.44 0.92 -0.23 0.00 0.48 0.00 0.00 55.95 57.56 1cur s SER 112 Cb -0.28 -2.23 0.03 0.00 0.10 0.00 0.00 66.02 63.63 1cur s SER 112 CO 0.35 -0.36 1.58 -2.16 0.98 0.00 0.00 173.24 173.63 1cur s PRO 113 N -3.96 3.38 1.01 4.02 0.04 -1.26 -4.52 135.00 133.70 1cur s PRO 113 Ca 0.47 -1.01 -0.14 0.00 0.04 0.00 0.00 61.00 60.37 1cur s PRO 113 Cb -0.10 -5.31 0.09 0.00 0.04 0.00 0.00 34.50 29.22 1cur s PRO 113 CO 0.34 -2.50 0.42 1.33 0.04 0.00 0.00 177.00 176.64 1cur n VAL 114 N 7.08 0.00 -1.65 -0.36 0.24 -1.26 -4.04 118.33 118.35 1cur n VAL 114 Ca 0.36 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.34 62.03 1cur n VAL 114 Cb 0.50 -0.69 0.02 0.00 -1.47 0.00 0.00 33.84 32.20 1cur n VAL 114 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1cur n PRO 115 N -2.33 1.52 -0.62 7.34 -0.02 -1.26 -4.72 135.00 134.91 1cur n PRO 115 Ca 0.05 0.55 0.05 0.00 -2.02 0.00 0.00 63.50 62.13 1cur n PRO 115 Cb 0.56 -2.20 0.28 0.00 -0.02 0.00 0.00 33.50 32.11 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 -0.07 3.12 -0.06 -0.52 4.76 -1.26 -4.81 118.16 119.31 1cur n LYS 116 Ca 0.09 -2.96 0.00 0.00 -2.87 0.00 0.00 58.31 52.57 1cur n LYS 116 Cb 0.40 -1.94 0.00 0.00 -1.84 0.00 0.00 35.03 31.65 1cur n LYS 116 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1cur n ASP 117 N -0.42 -1.32 0.00 4.39 2.03 -1.26 -4.80 116.55 115.18 1cur n ASP 117 Ca 0.26 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.62 1cur n ASP 117 Cb 1.02 0.78 0.00 0.00 -0.72 0.00 0.00 41.12 42.20 1cur n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cur n GLY 118 N -0.98 1.00 3.83 0.27 0.00 -1.26 -4.92 105.19 103.14 1cur n GLY 118 Ca 0.00 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.93 -0.37 1.61 1.02 -1.26 -3.28 119.74 121.39 1cur s LYS 119 Ca 0.00 1.02 0.01 0.00 0.02 0.00 0.00 55.97 57.02 1cur s LYS 119 Cb 0.00 -2.13 0.12 0.00 -0.52 0.00 0.00 37.83 35.29 1cur s LYS 119 CO 0.00 -0.29 0.15 -0.06 -0.92 0.00 0.00 175.35 174.23 1cur s PHE 120 N -2.51 1.96 -0.40 3.18 0.40 0.78 -4.33 117.98 117.07 1cur s PHE 120 Ca 0.60 -2.12 -0.40 0.00 -0.60 0.00 0.00 56.93 54.41 1cur s PHE 120 Cb -0.11 -1.87 -0.16 0.00 0.51 0.00 0.00 43.02 41.40 1cur s PHE 120 CO 0.28 -0.84 2.03 0.41 0.70 0.00 0.00 175.22 177.80 1cur n GLY 121 N 4.25 0.31 3.44 4.36 0.00 -1.26 -0.50 105.19 115.80 1cur n GLY 121 Ca 0.03 1.01 -0.22 0.00 0.00 0.00 0.00 46.02 46.83 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 5.73 1.76 -0.07 1.61 1.13 0.22 -2.65 117.35 125.07 1cur s TYR 122 Ca 1.11 -1.25 -0.30 0.00 -1.41 0.00 0.00 57.07 55.22 1cur s TYR 122 Cb -1.18 -1.08 0.11 0.00 -1.10 0.00 0.00 41.96 38.71 1cur s TYR 122 CO 0.61 -0.32 0.93 0.99 -2.51 0.00 0.00 175.55 175.26 1cur s THR 123 N -3.36 0.00 -0.35 -3.49 2.01 -1.17 -2.52 115.64 106.76 1cur s THR 123 Ca 0.30 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1cur s THR 123 Cb 0.05 -1.00 0.14 0.00 0.01 0.00 0.00 72.50 71.69 1cur s THR 123 CO 0.16 0.00 0.23 -1.81 -0.69 0.00 0.00 174.62 172.50 1cur s ASP 124 N -1.94 2.76 0.15 3.53 1.11 -1.26 -0.52 116.67 120.51 1cur s ASP 124 Ca 0.02 -2.02 0.07 0.00 0.18 0.00 0.00 52.55 50.80 1cur s ASP 124 Cb -0.01 -0.26 -0.04 0.00 1.07 0.00 0.00 42.92 43.69 1cur s ASP 124 CO -0.04 -0.31 0.00 0.72 1.18 0.00 0.00 175.17 176.72 1cur s PHE 125 N 1.22 2.89 -0.01 4.23 -0.71 -0.80 -4.91 117.98 119.88 1cur s PHE 125 Ca 0.17 -0.11 0.07 0.00 -1.04 0.00 0.00 56.93 56.02 1cur s PHE 125 Cb -0.21 -1.42 -0.02 0.00 -1.21 0.00 0.00 43.02 40.15 1cur s PHE 125 CO -0.03 0.50 -0.23 0.99 -1.34 0.00 0.00 175.22 175.12 1cur s THR 126 N -1.62 2.33 0.11 -4.49 2.01 -1.26 -0.74 115.64 111.97 1cur s THR 126 Ca 0.27 -1.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 1cur s THR 126 Cb -0.10 -1.85 -0.00 0.00 0.01 0.00 0.00 72.50 70.55 1cur s THR 126 CO 0.19 0.54 0.21 -1.66 -0.69 0.00 0.00 174.62 173.20 1cur s TRP 127 N -0.68 0.23 -0.41 4.92 1.48 0.40 -4.98 118.94 119.89 1cur s TRP 127 Ca 0.11 -0.64 0.02 0.00 -1.06 0.00 0.00 56.10 54.52 1cur s TRP 127 Cb -0.10 -0.07 0.14 0.00 -1.16 0.00 0.00 33.47 32.28 1cur s TRP 127 CO 0.00 -0.58 0.24 -1.01 -4.06 0.00 0.00 176.95 171.54 1cur s HIS 128 N -3.89 1.51 0.47 1.66 3.76 -1.26 -0.07 115.29 117.47 1cur s HIS 128 Ca 0.08 -2.15 -0.19 0.00 -0.15 0.00 0.00 55.06 52.65 1cur s HIS 128 Cb 0.05 -1.50 -0.09 0.00 1.11 0.00 0.00 32.58 32.14 1cur s HIS 128 CO -0.08 -0.80 0.98 -1.25 -0.85 0.00 0.00 174.74 172.74 1cur s PRO 129 N 0.56 4.03 0.71 8.40 0.04 -1.26 -5.01 135.00 142.46 1cur s PRO 129 Ca 0.19 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.22 1cur s PRO 129 Cb -0.22 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.19 1cur s PRO 129 CO -0.01 -0.21 1.10 0.95 0.04 0.00 0.00 177.00 178.87 1cur s THR 130 N -2.31 3.45 0.74 1.26 -4.23 -1.26 -4.22 115.64 109.07 1cur s THR 130 Ca 0.62 0.47 -0.13 0.00 -1.18 0.00 0.00 61.69 61.47 1cur s THR 130 Cb -0.11 -3.45 0.05 0.00 1.34 0.00 0.00 72.50 70.33 1cur s THR 130 CO 0.21 -0.62 1.13 0.00 -0.54 0.00 0.00 174.62 174.80 1cur s ALA 131 N -3.35 2.20 0.00 3.99 0.00 -1.26 -4.69 121.76 118.65 1cur s ALA 131 Ca 0.58 0.54 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1cur s ALA 131 Cb -0.11 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1cur s ALA 131 CO 0.52 -1.75 0.00 0.41 0.00 0.00 0.00 175.76 174.94 1cur n GLY 132 N -0.44 0.31 3.18 0.00 0.00 0.67 -4.94 105.19 103.96 1cur n GLY 132 Ca 0.11 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.15 0.44 2.61 2.01 -1.26 -0.81 115.64 118.48 1cur s THR 133 Ca 0.00 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.21 1cur s THR 133 Cb 0.00 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 1cur s THR 133 CO 0.00 0.06 0.31 -0.31 -0.69 0.00 0.00 174.62 173.99 1cur s TYR 134 N 1.61 2.47 -0.01 4.92 1.51 0.57 -4.74 117.35 123.68 1cur s TYR 134 Ca -0.07 -0.59 -0.03 0.00 -1.01 0.00 0.00 57.07 55.36 1cur s TYR 134 Cb -0.10 -2.05 -0.00 0.00 -0.11 0.00 0.00 41.96 39.70 1cur s TYR 134 CO -0.11 -0.07 0.06 0.71 -1.11 0.00 0.00 175.55 175.02 1cur s TYR 135 N -2.58 0.02 -0.13 2.71 1.51 0.85 -0.29 117.35 119.44 1cur s TYR 135 Ca 0.43 -0.04 -0.03 0.00 -1.01 0.00 0.00 57.07 56.42 1cur s TYR 135 Cb -0.00 -0.04 -0.03 0.00 -0.11 0.00 0.00 41.96 41.78 1cur s TYR 135 CO 0.25 -0.12 -0.01 1.52 -1.11 0.00 0.00 175.55 176.08 1cur s TYR 136 N -0.57 3.11 0.01 2.71 -0.85 -0.09 -0.89 117.35 120.79 1cur s TYR 136 Ca -0.06 -0.03 0.01 0.00 -0.52 0.00 0.00 57.07 56.46 1cur s TYR 136 Cb -0.04 -1.91 -0.01 0.00 0.38 0.00 0.00 41.96 40.39 1cur s TYR 136 CO 0.00 0.21 -0.03 0.14 -1.52 0.00 0.00 175.55 174.34 1cur s VAL 137 N -0.16 0.22 0.12 -3.49 -7.23 -0.04 -1.44 120.40 108.38 1cur s VAL 137 Ca 0.04 -0.45 -0.23 0.00 -1.81 0.00 0.00 61.98 59.54 1cur s VAL 137 Cb -0.13 -0.25 -0.07 0.00 0.56 0.00 0.00 36.38 36.49 1cur s VAL 137 CO 0.02 -0.15 0.69 0.00 -0.31 0.00 0.00 175.10 175.35 1cur n GLN 139 N 1.68 2.79 -3.34 0.00 1.13 -1.26 -3.02 117.38 115.36 1cur n GLN 139 Ca -0.07 -3.64 -0.38 0.00 -1.94 0.00 0.00 57.00 50.96 1cur n GLN 139 Cb 0.50 -2.12 -0.06 0.00 0.11 0.00 0.00 30.24 28.67 1cur n GLN 139 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1cur s ILE 140 N -4.18 5.08 -0.08 5.09 1.01 -1.26 -4.82 121.20 122.04 1cur s ILE 140 Ca 0.52 0.99 -0.39 0.00 0.00 0.00 0.00 60.65 61.76 1cur s ILE 140 Cb 0.43 -3.81 -0.19 0.00 0.01 0.00 0.00 42.46 38.90 1cur s ILE 140 CO 0.01 0.41 1.11 -2.65 0.00 0.00 0.00 174.94 173.82 1cur n PRO 141 N 3.00 0.00 0.00 2.79 -0.02 -1.26 -0.97 135.00 138.54 1cur n PRO 141 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1cur n PRO 141 Cb 0.52 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 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 1.82 2.88 0.19 -1.23 0.00 0.22 -4.88 105.19 104.19 1cur n GLY 142 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.37 -0.35 1.61 3.86 -1.33 0.13 115.15 118.70 1cur h HIS 143 Ca 0.00 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.26 1cur h HIS 143 Cb 0.00 0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.54 1cur h HIS 143 CO 0.00 -0.16 0.05 0.00 0.86 0.00 0.00 177.93 178.68 1cur h ALA 144 N 0.15 0.35 -0.97 2.45 0.00 -1.72 0.11 119.26 119.63 1cur h ALA 144 Ca -0.04 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1cur h ALA 144 Cb 0.38 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1cur h ALA 144 CO 0.07 -0.36 0.63 0.00 0.00 0.00 0.00 179.25 179.59 1cur h ALA 145 N 1.28 1.32 0.14 0.00 0.00 -1.61 -2.75 119.26 117.64 1cur h ALA 145 Ca 0.17 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.75 1cur h ALA 145 Cb 0.21 -0.32 0.03 0.00 0.00 0.00 0.00 17.79 17.71 1cur h ALA 145 CO -0.24 0.46 -1.23 1.79 0.00 0.00 0.00 179.25 180.03 1cur h THR 146 N 1.18 1.30 0.00 0.00 1.35 -0.48 -3.43 112.91 112.83 1cur h THR 146 Ca 0.40 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 1cur h THR 146 Cb 0.09 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1cur h THR 146 CO -0.15 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1cur n GLY 147 N 1.44 0.00 3.30 5.82 0.00 -0.24 -5.06 105.19 110.44 1cur n GLY 147 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1cur n GLY 147 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1cur n MET 148 N 0.00 3.09 -3.18 1.61 0.00 0.22 -4.84 117.12 114.02 1cur n MET 148 Ca 0.00 -3.06 -0.06 0.00 0.00 0.00 0.00 57.70 54.58 1cur n MET 148 Cb 0.00 -3.43 0.02 0.00 0.00 0.00 0.00 33.22 29.81 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 7.64 -1.97 -3.61 1.12 -1.74 -1.26 -1.65 117.46 115.99 1cur n PHE 149 Ca 0.50 -1.39 -0.01 0.00 -0.56 0.00 0.00 57.45 55.99 1cur n PHE 149 Cb 0.44 0.70 -0.01 0.00 1.52 0.00 0.00 39.48 42.12 1cur n PHE 149 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 1cur s GLY 150 N -2.67 -0.36 0.04 4.97 0.00 -0.52 -4.69 107.32 104.08 1cur s GLY 150 Ca 0.13 1.09 0.01 0.00 0.00 0.00 0.00 44.72 45.95 1cur s GLY 150 CO 0.09 0.30 0.10 0.54 0.00 0.00 0.00 173.10 174.12 1cur s LYS 151 N -2.40 3.04 -0.36 2.90 1.02 -1.26 -0.91 119.74 121.77 1cur s LYS 151 Ca 0.12 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.56 1cur s LYS 151 Cb 0.02 -2.83 0.11 0.00 -0.52 0.00 0.00 37.83 34.62 1cur s LYS 151 CO -0.04 0.61 0.13 0.42 -0.92 0.00 0.00 175.35 175.55 1cur s ILE 152 N -1.31 1.40 0.06 2.17 1.01 0.60 -0.58 121.20 124.56 1cur s ILE 152 Ca 0.27 -2.00 -0.30 0.00 0.00 0.00 0.00 60.65 58.61 1cur s ILE 152 Cb -0.12 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 1cur s ILE 152 CO 0.19 -0.72 1.03 -0.69 0.00 0.00 0.00 174.94 174.74 1cur s VAL 153 N 1.03 4.51 -0.47 2.92 1.01 0.63 -0.31 120.40 129.72 1cur s VAL 153 Ca 0.12 1.91 0.03 0.00 0.00 0.00 0.00 61.98 64.04 1cur s VAL 153 Cb -0.20 -4.22 0.12 0.00 0.00 0.00 0.00 36.38 32.08 1cur s VAL 153 CO -0.13 0.21 0.21 -0.69 0.00 0.00 0.00 175.10 174.69 1cur s VAL 154 N 0.60 2.67 0.00 2.92 1.01 0.01 -0.45 120.40 127.16 1cur s VAL 154 Ca 0.51 -2.89 0.00 0.00 0.00 0.00 0.00 61.98 59.61 1cur s VAL 154 Cb -0.24 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1cur s VAL 154 CO 0.29 -0.74 0.00 0.29 0.00 0.00 0.00 175.10 174.95